Molecular Structures and Dimensions Vol. 14 Solid State Classes 1-86
Molecular Structures and Dimensions
Vol. 14 Bibliography 1981-82 Organic and Organometallic Crystal Structures
Edited by: Olga Kennard David G. Watson Frank H. Allen Sharon A. Bellard Brian A. Cartwright
Compiled by: Stella Barrett John E. Davies Jean Galloy Helen Higgs Jean Reid Robin Taylor Angela Webb
Springer-Science+Business Media, B.V.
Copyright © 1983 by Springer Science+Business Media Dordrecht Originally published by D. Reidel Publishing Company, Dordrecht in 1983 Softcover reprint of the hardcover 1st edition 1983
First published 1983 by International Union of Crystallography
No part of this book may be reproduced by any mechanical, photographic or electronic process, or in the form of a phonographic recording, nor may it be stored in a retrieval system, transmitted, or otherwise copied for public or private use without written permission from the Publisher
Library of Congress catalogue card number 76-133989 ISSN 0377-2012 ISBN 978-94-017-2334-3 ISBN 978-94-017-2332-9 (eBook) DOI 10.1007/978-94-017-2332-9
Contents
Preface vii
Acknowledgements xi
Introduction xiii Criteria for Inclusion xiii Standard Entries xiii Cross-Reference Entries xiv Ordering of Entries xiv Classification Rules xiv Index System xv Compound Name Indexing xv Compound Name Index (Organic) xvi Compound Name Index (Organometallics and Metal Complexes) xvi Molecular Formula Index xvi Permuted Formula Index xvii Author Index xvii Chemical Diagram Index xviii
List of Classes xix
Compound Name Index (Organometallics and Metal Complexes) MCI
Formula Index Fl
List of Classes
v
Preface
This volume is the fourteenth classified bibliography of organic, organometallic and metal complex crystal structures prepared by the Cambridge Crystallo­ graphic Data Centre and published jointly with the International Union of Crystallography. The previous thirteen volumes covered the years 1935-81; the majority of references in the present volume pertain to structure analyses reported in the literature during 1981 and 1982. A few structures reported prior to 1981 and omitted in earlier volumes are also included. Volume 14 contains 4094 references to 4001 distinct chemical compounds with 2162 cross-references. Some 90% of these references were obtained by direct in-house scanning of 51 major journals; the remaining material was located by searching Chemical Abstracts and Bulletin Signa/etique. The table below summarizes the cut-off dates for the 25 direct-scan journals yielding most entries in Volume 14.
The fully classified Chemical Diagram Index, first presented in Volume 13, is continued here. Volume 14 contains 3912 chemical structural diagrams, repre­ senting 98% of the compounds. The reasons for the omission of some diagrams are noted in the Introduction. This new index provides a rapid visual overview of compounds studied in 1981-82 and will, we hope, add greatly to the usefulness of the annual Bibliographies. The textual indexes in Volume 14 continue the system established in Volumes 9-13 and in the special volume Guide to the Literature 1935-76. The latter volume presents a set of cumulative indexes to the contents of Bibliographic Volumes 1-8.
Journal Issue Page Year Entries
Acta Crystallogr., Sect. B 8 2291 1982 642 Inorg. Chern. 5 2ll6 1982 424 J. Amer. Chern. Soc. 12 3471 1982 344 Cryst. Struct. Cornrnun. 2 799 1982 279 J. Chern. Soc., Chern. Commun. 15 835 1982 217 J. Organornetal. Chern. Vol. 232 233 1982 175 J. Chern. Soc., Dalton Trans. 5 1013 1982 168 Chern. Ber. 6 2371 1982 113 J. Org. Chern. 6 ll43 1982 107 Angew. Chern., Int. Ed. (Engl.) 4 312 1982 89 Zh. Strukt. Khirn. 2 92 1982 80 Tetrahedron Letters 29 2973 1982 75 Inorg. Chirn. Acta Vol. 66 57 1982 66 Koord. Khirn. I 251 1982 66 Helv. Chirn. Acta 4 1310 1982 64 Z. Naturforsch., Teil. B 6 718 1982 59 Bull. Chern. Soc. Jpn. 4 1254 1982 52 z. Anorg. Allg. Chern. Vol. 488 126 1982 46 Can. J. Chern. 9 1073 1982 40 Aust. J. Chern. 11 2475 1981 38 Tetrahedron 10 1477 1982 31 Chern. Pharm. Bull. Tokyo 4 1535 1982 31 Dokl. Akad. Nauk SSSR Vol. 262 877 1982 30 J. Chern. Soc., Perkin Trans. 2 5 617 1982 28 J. Cryst. Mol. Struct. 6 189 1982 27
vii
This volume is produced directly from the computer-based bibliographic file of the Cambridge Crystallographic Data Centre. The total database also con­ tains magnetic-tape files of chemical structural information (as connectivity tables) and evaluated numeric data (atomic coordinates, unit-cell parameters, symmetry, etc.). The Centre also acts as a depository for numeric data relating to structures reported in Chemical Communications (since 1977), Tetrahedron Letters (since 1977), Tetrahedron, Phytochemistry, Nouveau Journal de Chimie (since 1980), and Polyhedron (since 1982). The total database currently (l April 1983) contains information on some 36,000 structure analyses.
The Cambridge Centre has developed a set of computer programs for search, retrieval, analysis and display of information contained in the database. The programs permit searches based on bibliographic information fields, or on the conrlectivity tables (for complete structures or substructural fragments), to obtain relevant literature references. Retrieved subsets of numeric data may then be used for extensive geometric calculations or for the preparation of graphic illustrations. The system is fully described in Acta Cryst. B35, 2331-2339 (1979).
The database and associated programs are available world-wide through National Affiliated Centres. These Centres receive regular updates of new material and provide services and tape copies to their local scientific com­ munities. National Centres operating in 1983 are listed below. Potential users in these countries should contact the addresses shown. British users and interested scientists in other countries should contact the Cambridge Centre.
Affiliated Data Centres operating in 1983 Australia Information Service, CSIRO, 314 Albert St, P.O. Box 89,
East Melbourne, Victoria 3002 (Dr C. Garrow) Austria Institut fUr physikalische Chemie der Universitiit Graz,
80 l 0 Graz, Heinrichstrasse 28 (Dr C. Kratky) Belgium Laboratorium voor Kristallografie, Katholieke Universiteit,
Redingenstraat 16 his, B-3000 Leuven (Prof. G. S. D. King)
Brazil Departamento de Fisica e Ciencias Dos Materiais, lnstituto de Fisica e Quimica de Sao Carlos USP, Sao Carlos, Sao Paulo 13560 (DrY. P. Mascarenhas)
Canada Canadian Institute for Scientific and Technical Information, National Research Council, Ottawa KIA OS2 (Dr G. H. Wood)
Czechoslovakia Stredisko v:YPocetni techniky, Czechoslovenska akademie vM, Pod vodarenskou vezi 4, 180 07 Prague 8 (Dr K. Huml, Dr Ing. M. Novak)
Hungary Department of X-ray Diffraction, Central Research Institute of Chemistry, Hungarian Academy of Sciences, H-1525 Budapest, P.O.B. 17 (Prof. A. Kalman, Mr Neszemlyi)
India Department of Crystallography and Biophysics, University of Madras, A.C.C. Campus, Madras 60025 (Prof. R. Srinivasan)
Israel Department of Chemistry, Weizmann Institute of Science, Rehovot (Prof. D. Rabinovich, Dr Z. Shakked)
viii
Italy
Japan
Netherlands
West Germany
Istituto di Strutturistica Chimica, Universita di Parma, Via M. D'Azeglio 85, 43100 Parma (Prof. M. Nardelli, Prof. G. D. Andreetti) Institute for Protein Research, Osaka University, 5311 Yamada-Kami, Suita, Osaka (Prof. N. Yasuoka) Department of Inorganic Chemistry, University of Nijmegen, Toernooiveld, Nijmegen (Dr J. H. Noordik) Chemistry Division, Department of Scientific and Industrial Research, Private Bag, Petone (Dr G. Gainsford) Data Processing Centre, University of Petroleum and Minerals, Dhahran (Mr D. R. Matthews) Department of Structural Chemistry, University of Goteborg, P.O.B., S-40033, Goteborg 33, Sweden (Prof. S. Abrahamsson) Centre for Scientific and Technical Information, CSIR, P.O. Box 395, Pretoria 0001 (Dr A. G. Brunt) Laboratorium fiir Organische Chemie, ETH-Zentrum, CH-8092 Zurich (Prof. J. D. Dunitz) National Institutes of Health, Bethesda, Maryland 20014 (Dr G. W. A. Milne) Fachinformationszentrum Energie, Physik, Mathematik GmbH, Karlsruhe, Kernforschungszentrum, D-7514, Eggenstein-Leopoldshafen 2 (Dr H. Behrens)
We thank readers of the Molecular Structures and Dimensions series, and users of the Structural Database, who have notified us of errors and omissions. The Editors would particularly appreciate comments from readers of this volume concerning the chemical diagrams so that they can be incorporated in improvements planned for future volumes.
Olga Kennard Cambridge Crystallographic Data Centre David G. Watson University Chemical Laboratory Frank H. Allen Lensfield Road Sharon A. Bellard Cambridge CB2 I EW, England Brian A. Cartwright April 1983
ix
Acknowledgements
Cambridge Crystallographic Data Centre
This volume is derived from the database of the Crystallographic Data Centre. The editors would like to express their thanks to the following for their assistance in its maintenance.
Mrs K. A. M. Watson has been in charge of the encoding of information and has been assisted in the secretarial aspects of documentation by Mrs S. Berry. Mrs K. Bursey, Mrs J. Colman, Mrs A. O'Brien and Mrs D. Sargent have contributed to keyboarding and reprint acquisition.
Computer laboratories
The master copy for this volume was produced using the IBM 360/195 computer and the FR 80 microfilm recorder at the Science and Engineering Research Council Rutherford Appleton Laboratory, Chilton, U.K. We are especially grateful to Mrs K. M. Crennell of the Computing Division, the Atlas Centre, who wrote the page layout, tabulation and justification routines. We are also indebted to the FR 80 Operations Manager, Mr B. J. Jeeves, and his staff for provision of high-quality FR 80 output.
The IBM 3081 computer of the University of Cambridge Computer Centre has been used for this work and we are grateful to the staff for their special help in the production of the final tapes for the Chilton interface.
Research Councils and Other Bodies
We thank the Science and Engineering Research Council and the Affiliated Data Centres for financial support and the Medical Research Council for allowing a member of their External Scientific Staff (Olga Kennard) to participate in this work.
This compilation was prepared in parallel with the Organic Volumes of Crystal Data (National Bureau of Standards, Washington D.C., U.S.A.). Both projects are strengthened by this collaboration.
We thank the University of Cambridge and the staff of the Chemical Labora· tory for help with administrative matters, and the Head of our Department, Professor R. A. Raphael, F.R.S., and Professor Sir Jack Lewis, F.R.S., for their encouragement and advice.
xi
Introduction
Criteria for Inclusion in the Bibliography
- The substance has been studied by X-ray or neutron diffraction and contains organic carbon. Purely inorganic carbonyls, cyanides etc., are excluded, as are macromolecules (proteins, viruses etc.). - The study has not been superseded by a later paper by the same authors. - Three positional coordinates have been determined for each non-hydrogen atom, though not necessarily recorded in the publication.
Standard Entries
The main bibliographic listing is divided into 86 chemical classes with cross­ referencing between classes. The classification scheme is fully described below. The listing therefore contains both standard and cross-reference entries. A standard entry contains the following information.
Compound Name (bold face), usually the name assigned in the original publi­ cation. Where only a trivial name is given, or the name is absent, a systematic name is assigned as far as possible.
Qualifying Phrases (bold face) may follow the compound name to indicate special conditions of the experiment or of the crystal, e.g. neutron study, absolute configuration determined by X-rays, high- or low-temperature studies, polymorphic forms etc. Entries without a qualifier correspond to X-ray studies at room temperature.
Synonym. This may be included to record trivial names (e.g. DDT, Paraquat), or commonly accepted non-systematic names.
Molecular Formula, expressed in terms of residues (discrete covalently bonded networks or ions). The formula of each residue takes the general form CxHyAaBbCc ... , together with multipliers and charges where necessary. Residues containing organic carbon precede solvate residues and inorganic residues or ions.
Authors' Names, transcribed exactly as published in the original paper, but without diacritical marks; Russian names are transliterated according to stan­ dard rules.
Literature Reference, generally recorded as journal name (italic), volume (bold face), page no., year of publication. Exceptions are: for Journal of Chemical Research the synopsis page no. replaces the volume, the cited page no. refers to the mini print; for Zhurnal Strukturnoi Khimii the issue no. appears in paren­ theses following the volume no.
Cross-Refereace, indicating that one (or more) of the residues occurs in other chemical class(es). Standard entries have entry numbers of the form cc.nnn where cc is the class number and nnn is the sequence number within that class.
xiii
Cross-Reference Entries
A cross-reference entry in the main bibliographic listing contains the following information from the main entry: Compound Name (bold face), Qualifier (bold face, if present), Synonym (if present), Molecular Formula.
A cross-reference entry has an entry number of the form cc.C, where cc is the class number, and is always terminated by a statement indicating the position of the corresponding main entry.
Where the cross-reference is generated by a second or subsequent residue this residue becomes the leading residue in the molecular formula record of the cross-reference entry.
Ordering of Entries
Entries are ordered by chemical class into 86 chapters. All entries, both standard and cross-references, are ordered by molecular formula within each class.
Classification Rules
Each residue in the structure which contains organic carbon is assigned to one or more of the 86 chemical classes. The full list of classes is given below. For each residue a precedence table is used to determine the main class assignment; other assignments are treated as cross-references. For example, if a compound can be described as belonging to class 15 (benzene nitro compounds) and also class 17 (phenols and ethers), then 17 will always be assigned as the main class with 15 as a cross-reference. The order of precedence is shown in the table below run­ ning from top to bottom and left to right (i.e. class 61 has highest precedence and 5 the lowest).
61,_60 7J, 72, 73, 74, 75, 76, 77, 78, 79, 80, 81, 82, 86, 85, 84, 83 70, 69, 68, 67, 66, 65, 64, 63,62 58, 57, 56, 55, 54, 53, 52, 51, 50, 49, 48, 47, 46, 45, 44, 43, 59 42, 41, 40, 39, 38, 37, 36, 35, 34, 32, 33 31, 30, 29, 28, 27, 23, 22, 20, 21, 26, 25, 24 18, 14, 13, 17, 16, 15 2, 1, 3, 4 12, 8, 11, 7, 10, 9, 6, 19, 5
In addition to these rules the classification conventions have, in recent years, been better defined for classes 1-59 and class 67. Some notes on these conven­ tions are given below. Oass 1. Cyclic acid derivatives e.g. anhydrides and lactones, are classified in the appropriate hetero class. This rule also applies to class 13. Oass 2. In a few cases where the cation is organic we classify the anion in 2. Oass 4. The compound must contain -C-N-S or -C-S-N-. Oass 9. The compound must contain -C-N-N-. Oass 10. The compound must contain -C-N-0- or -C-0-N-. Oass 24. The compound must be fully unsaturated. The same rule also applied to classes 25 and 26. Oass 44. The ring system must conform to the unmodified pyrimidine or purine skeleton. Oass 48. This class is reserved for peptides and a-amino-acids, whether or not
xiv
the amino-acid possesses biological properties. Thus a /1-amino-acid would be classified in the appropriate acid and amine classes. aass 50. A cross reference to a structural class is always provided; this rule also applies to class 59. aass 67. This class is reserved for compounds containing covalently bonded metals of groups lA and IIA.
Index System
The index system is designed to enable users to access standard entries in the main classified listing on the basis of: chemical name fragments; molecular formulae; specific elements (other than C, H, N, 0, S, P, Cl, Br, I); and authors' names. The indexes are non-cumulative, i..e. they refer to the contents of this volume only, and form a continuation of the cumulative indexes presented in the MSD special volume Guide to the Literature 1935-76. The Chemical diagram index is included from Volume 13 onwards.
Compound Name Indexing
Instead of a single alphabetic name index, in which each compound and synonym name occurs once only, we have prepared a permuted keyword-in-context index in which each name usually occurs several times. Two separate indexes are given: one for compounds which may be broadly described as organic, the second covering organometallics and metal complexes. The general principles of key­ word selection and index layout are, however, common to both.
The selection of keywords for each name is performed automatically by computer using input lists of common chemical and nomenclatural prefixes, suffixes and individual words. The aim of the analysis is to break down long strings of chemical syntax into their constituent words and to select information­ rich words for inclusion as index points. For example the syntax string:
difcobaltafdifcarbafheptafborane is split into six potential keywords of which two (italicized) are retained for indexing.
The keywords are sorted alphabetically and aligned down the centre of the index page. The context of each keyword is shown to the left and right on the same line; for longer names a wraparound facility is used to preserve maximum context. This is indicated by the use of [ and ) which respectively identify the start and end of the true name in the wraparound. For very long names trun­ cation is necessary and the symbols ( and ) are used to indicate loss of context to left and right.
In order to preserve clarity certain subscript and superscript strings which occur, for example, in the nomenclature for bridged-ring compounds, have not been fully interpreted in typesetting. Such strings are simply enclosed within parentheses to avoid breaks in alignment which might be distracting to the user.
The entry number, cc.nnn, is used to refer back to the main classified listing. In both sections of the index the entry number may be followed by a letter.
a indicates that the absolute configuration of the cited compound was deter­ mined by X-ray methods.
n indicates that the cited compound was studied by neutron diffraction. While we cannot guarantee that these codings are totally exhaustive we hope
that their inclusion here conveys useful additional information. The codes are attached to all occurrences of the name to which they apply.
XV
In both indexes the inclusion or exclusion of any keyword largely depends on its incidence. For example methyl, ethyl, etc., occur many times, convey minimal information, and are excluded. Keywords such as camphor are highly informative and are retained. In between these two extremes there exists an arbitrary area, and in the final selection of keywords we have attempted to balance space requirements against information content.
Compound Name Index (Organic)
Compound and synonym names are included in the organic section on the basis of chemical class criteria: - entries in basic classes 1--67 and 70; - entries in other classes are also included if they have a cross·reference to 1--67 or 70.
This section contains all compounds which are generally accepted as organic together with compounds of S, Se, Te, B, Si, P, As, Sb, Bi and Group lA and IIA elements. The second criterion allows the inclusio~ of some metal complexes (e.g. silver salt adducts of olefins etc.) where the structural interest was primarily the organic moiety. This gives rise to an area of overlap between the two parts of the name index.
In this section certain keywords, e.g. acetate, benzoate are excluded for the natural product classes 50-59 but retained in all other cases.
The running head on each index page contains a directory block recording the first five characters of the first and last index point on that page.
Compound Name Index (Organometallics and Metal Complexes)
Substances containing a metallic element defined as: transition metals, lan­ thanides, actinides, Zn, Cd, Hg, AI, Ga, In, Tl, Ge, Sn, Pb, are included in this index. The selection criteria are: - entries in basic classes 68, 69, 71-86; - entries in other classes which contain any of the above elements in any residue of the molecular formula. The second criterion means that two-residue structures where the inorganic ion is unclassified, e.g. ethylammonium tetrachloro­ cuprate (class 3) will appear under copper in this section of the index, as will all metal-containing porphyrin structures (class 49).
Instead of presenting a single alphabeticized keyword list we have subdivided the index according to elements; the sections are ordered alphabetically by element name. Within each section the layout is as described above, but the key­ word which contains the element name or name root, e.g. gold, aura, auri, auro, is omitted. Compounds containing more than one metallic element are fully indexed under each element name.
In addition to the absolute configuration and neutron study flags the symbol • may occur in the (normally blank) column preceding the indexed keyword. This indicates polynuclear bridged species.
The running head on each index page contains a directory block recording the first and last element names referred to on that page.
Molecular Formula Index
Molecular formulae are expressed in terms of residues, e.g. CBr,, C8H10 for the carbon tetrabromide p-xylene complex. Only non-trivial residues are classified; residues such as solvents, inorganic ions, etc., are not classified.
xvi
The arrangement of symbols within a residue is that used by Chemical Abstracts: carbon atoms first, followed by hydrogen (if present) and other elements in alphabetic sequence, typically CxHyAaBbCc ... , followed if necessary by the net charge on the residue. Residue premultipliers may be explicit fractional or integer numbers or, in cases of indeterminacy, the letters x, y may be used. Post multipliers are reserved for polymeric residues, e.g. (C2H2Cu0J,..
Entries in the index are grouped under the number of carbon atoms. Within each group entries are ordered according to their natural sequence of elements in the manner adopted by Chemical Abstracts.
The primary indexed residue appears in bold type. Compounds with more than one classified residue are indexed under each such residue. Hence the CBr4,C8H10
complex will appear under C1 as CBr4,C8H10 and under C8 as C8H10,CBr4•
The index refers to the main classified listing via the entry number which is printed to the left of the formula.
Permuted Formula Index
This index takes the form of an element-in-context listing based on 'rarer • elements. Elements other than C, H, N, 0, S, P, Cl, Br, I are defined as rare. The index is best described by use of an example. The compound
contains three permutable elements (bold type), and will occur three times in the index as:
MnGe As2 C10H18CI30 3
MnAs2 Ge C10H18CI30 3
GeAs2 Mn C10H18Cl30 3
The common elements are relegated to the end of the residue formulation and the remaining rarer elements are permuted into the key index position (bold type) giving a KWIC-style layout. The context is defined by the other permutable elements, printed to the left of the key, and the common elements printed to the right.
In multiple residue structures the second and subsequent residues are added, with their usual element order, to the right-hand context string and separated by commas, e.g.
It should be noted that the permutation process is only applied to classified residues. The inorganic ion which forms the second residue in the example above will not appear in the niobium section.
The index facilitates searches for specific rarer elements and for rarer element groupings; it refers back to the main classified listing via the entry number printed to the left of each formula.
Author Index
This is an alphabetic listing of authors' names keyed to the main classified listing via lists of entry numbers, which are grouped in ascending order.
Authors' names are abstracted directly from published papers; any misprints contained in the original material will not, in general, have been corrected. Similarly the number of initials used by authors in their published work is also
xvii
abstracted directly, any published differences will therefore generate multiple index entries. It should be noted that diacritical marks and special symbols are not included. We have attempted to be both consistent, and to follow accepted conventions, in the transliteration of Russian names.
Names which contain a mixture of upper and lower case letters- e.g. DeLaMatter, MacKenzie, etc. -are sorted as if all letters were lower case; hence MacKenzie and Mackenzie will be adjacent in the index. Names containing genealogical qualifiers- e.g. Junior, III, etc. - are sorted including that qualifier, hence Smith Junior, J. occurs after Smith, G. and Smith, L.
Chemical Diagram Index
This index is arranged in the same order as the standard entries in the main bibliography: by chemical class and by increasing molecular formula within each class. The entry number cc. nnn of the corresponding bibliographic entry appears beneath each chemical diagram.
The diagrams are two-dimensional representations of chemical structures. No systematic attempt has been made to represent stereochemistry, with the exception of geometrical isomerism.
For each structure only the classified residues are shown in the diagram. Inorganic ions and molecules, and organic solvent molecules are therefore omitted. Relevant information concerning non-classified residues is available in the molecular formulae recorded in the bibliographic entries. Diagrams have been omitted in the following situations:
- In a few cases the original publication did not contain sufficient information to enable a diagram to be prepared. - For a set of entries relating to the same chemical compound a single diagram is provided; in these cases the entry number beneath the diagram will be of the type 8.10 +, indicating that it relates to bibliographic entries 8.1 0, 8.11 etc. - Diagrams of simple salts, typically Me,N+X-, Et,N+X-, Ph,P+X- with X inorganic, have been omitted. Such substances must be located using other indexes, or the appropriate class listings in the main bibliography.
Occasionally two or more identical diagrams will appear consecutively. This will usually correspond to one of the following situations: - Each diagram represents a different stereoisomer of the same chemical substance.
- There exists a set of multi-residue structures, each containing the same classified organic residue A and different non-classified residues B, C, D (inorganic or solvate). Thus, for the sequence A·B, A·C, A·D, each diagram will only portray the structure of residue A.
Conventions adopted for bonds, repeated groups and ligands, and chemical group abbreviations are nearly all standard. The following should be noted:
vvvvv' indicates a polymeric link
Cp indicates a cyclopentadienyl ring
Py indicates a pyridyl group
Bu indicates a tert-butyl group
xviii
List of Classes This list is reproduced at the back for easy reference.
1 Aliphatic Carboxylic Acids and their Derivatives 1 2 Aliphatic Carboxylic Acid Salts (Ammonium, lA, IIA Metals) 4 3 Aliphatic Amines 6 4 Aliphatic (N and S) Compounds 9 5 Aliphatic Miscellaneous 10 6 Enolates (Aliphatic and Aromatic) 10 7 Nitrites (Aliphatic and Aromatic) 11 8 Urea Compounds (Aliphatic and Aromatic) 12 9 Nitrogen-Nitrogen Compounds (Aliphatic and Aromatic) 14
10 Nitrogen-Oxygen Compounds (Aliphatic and Aromatic) 15 11 Sulfur and Selenium Compounds 15 1l Carbonium Ions, Carbanions, Radicals 17 13 Benzoic Acid Derivatives 18 14 Benzoic Acid Salts (Ammonium, lA, IIA Metals) 20 15 Benzene Nitro Compounds 21 16 Anilines 22 17 Phenols and Ethers 25 18 Benzoquinones 28 19 Benzene Miscellaneous 29 lO Monocyclic Hydrocarbons (3, 4, 5-Membered Rings) 31 21 Monocyclic Hydrocarbons (6-Membered Rings) 33 22 Monocyclic Hydrocarbons (7, 8-Membered Rings) 35 23 Monocyclic Hydrocarbons (9- and Higher-Membered Rings) 35 l4 Naphthalene Compounds 36 l5 Naphthoquinones 37 l6 Anthracene Compounds 37 '1.7 Polycyclic Hydrocarbons (2 Fused Rings) 38 l8 Polycyclic Hydrocarbons (3 Fused Rings) 40 29 Polycyclic Hydrocarbons (4 Fused Rings) 41 30 Polycyclic Hydrocarbons (5 or More Fused Rings) 42 31 Bridged Ring Hydrocarbons 43 32 Hetero-Nitrogen (3, 4, 5-Membered Monocyclic) 47 33 Hetero-Nitrogen (6-Membered Monocyclic) 51 34 Hetero-Nitrogen (7- and Higher-Membered Monocyclic) 56 35 Hetero-Nitrogen (2 Fused Rings) 57 36 Hetero-Nitrogen (More than 2 Fused Rings) 61 37 Hetero-Nitrogen (Bridged Ring Systems) 65 38 Hetero-Oxygen 68 39 Hetero-Sulfur and Hetero-Selenium 78 40 Hetero-(Nitrogen and Oxygen) 82 41 Hetero-(Nitrogen and Sulfur) 86 41 Miscellaneous Heterocycles 90 43 Barbiturates 91 44 Pyrimidines and Purines 92
xix
45 Carbohydrates 95 46 Phosphates 99 47 Nucleosides and Nucleotides 100 48 Alpha-Amino-Acids and Peptides 102 49 Porphyrins and Corrins 106 50 Antibiotics 108 51 Steroids 110 51 Monoterpenes 113 53 Sesquiterpenes 114 54 Diterpenes 115 55 Sesterterpenes 117 56 Triterpenes 117 57 Tetraterpenes No entries in Vol. 14 58 Alkaloids 118 59 Miscellaneous Natural Products 121 60 Molecular Complexes 124 61 Oathrates 128 61 Boron Compounds 132 63 Silicon Compounds 135 64 Phosphorus Compounds 140 65 Arsenic Compounds 148 66 Antimony and Bismuth Compounds 149 67 Groups lA and IIA Compounds 150 68 Group III Compounds 153 69 Germanium, Tin, Lead Compounds 154 70 Tellurium Compounds 157 71 Transition Metal-C Compounds 158 7l Metal1r-Complexes (Open-Chain) 178 73 Metal1r-Complexes (Cyclopentadiene) 183 74 Metal1r-Complexes (Arene) 196 75 Metal11'-Complexes (Miscellaneous Ring Systems) 198 76 Metal Complexes (Ethylenediamine) 202 77 Metal Complexes (Acetylacetone) 210 78 Metal Complexes (Salicylic Derivatives) 211 79 Metal Complexes (Thiourea) 213 80 Metal Complexes (Thiocarbamate or Xanthate) 214 81 Metal Complexes (Carboxylic Acid) 215 81 Metal Complexes (Amino-Acid) 223 83 Metal Complexes (Nitrogen Ligand) 225 84 Metal Complexes (Oxygen Ligand) 246 85 Metal Complexes (Sulfur or Selenium Ligand) 255 86 Metal Complexes (P, As, Sb Ligand) 264
XX
l.C
l.C
l.C
l.C
l.C
1.1
1.2
l.C
1.3
1.4
1.5
1.6
l.C
1.7
Cesium hydrogen diformate CH02-. CH 202, Cs+ Main entry is 2.1
Rubidium hydrogen diformate CH02 -. CH 202, Rb+ Main entry is 2.3
Potassium hydrogen diformate CH 202• CH02-. K+ Main entry is 2.2
Trisodium triformate formic acid CH 202• 3CH02-. 3Na+ Main entry is 2.9
Sodium hydrogen oxalate monohydrate (neutron study, at 120"K) C2H04 -. Na+, H20 Main entry is 2.11
Bromofluoroacetic acid C2H2BrF02 R.D.Rogers, B.Kalyanaraman, M.S.Dalton, W.Smith, L.D.Kispert. J.L.Atwood J.Cryst.Mol.Struct., 11, 105, 1981
Dichlorofluoroacetamide CzH 2Cl2 FNO D.Pace, W.E.Hunter, R.Shakir. L.D.Kispert, J.L.Atwood J. Cry st. Mol. Struct., 10. 115. 1980
Potassium tetraoxalate dihydrate C2H204 • C2H04 -. K+, 2H 20 Main entry is 2.10
a - Oxalic acid dihydrate C2H204 • 2H 20 J.Dam, S.Harkema, D.Feil Acta Crystallogr .. Sect.A, 37, C135. 1981
Wonofluoroacetamide (neutron study. at 20"K) C2 H4 F'NO G.A.Jeffrey, J.R.Ruble, R.K.McMullan, D.J.DeF'rees, J.A.Pople Acta Crystallogr.,Sect.B, 37.1885, 1981
Acetamide (rhombohedral phase, neutron study. at 23"K) C2H~NO G.A.Jeffrey, J.RRuble, R.K.McMullan, D.J.DeFrees, J.S.Binkley, J.APople Acta Crystallogr.,Sect.A, 37. C80, 1981
bis(Acetamide) hydrochloride (neutron study. at 120"K) C2H~NO, C2H6NO+, CI- J.C.Speakman, M.S.Lehmann. J.R.Allibon, D.Semmingsen Acta Crystallogr.,Sect.B. 37,2098,1981
Potassium hydrogen monofluoromalonate monohydrate C3H2 F04 -, K+, H20 Main entry is 2.20
Dithiomalonodiamide C3H6N2S2
H.Hlawatschek, G.Kiel, G.Galtow Z. Naturforsch. Teil B, 36, 1386, 1981 See also R1 : 11
1.8 Methyl acetate (at 145"K) C3HeOz M.J.Barrow, S.Cradock, E.A.V.Ebsworth, D.W.H.Rankin J.Chem.Soc.,Dalton Trans., 1988,1981
1.9 Propionamide (at 123"K) C3H7 NO
1.10
l.C
1.11
1.12
1.13
1.14
1.15
1.16
l.C
1.17
1.16
l.C
A.Usanmaz, G.Adler Acta Crystallogr.,Sect.B, 38,660, 1982
Potassium fluoride dideutero - succinic acid C4 H4 D20 4 , K+, r- J.Emsley, D.J.Jones, R.Kuroda J.Chem.Soc.,Dalton Trans., 2141,1981
Ammonium hydrogen oxydiacetate C4H~o~-. H4 N+ Main entry is 2.24
(Acetoxyethyl) - trimethylammonium hydrogen (+)-tartrate (form ii) Acetylcholine hydrogen(+)- tartrate C4H~06-. C7H16N02+ B.Jensen Acta Crystallogr.,Sect.B, 38,1185, 1982 See also R2 : 1,3
(Acetoxyethyl) - trimethylammonium hydrogen (+)-tartrate (form i) Acetylcholine hydrogen ( +) - tartrate C4H~06-. C1H 16NOz+ B.Jensen Acta Crystallogr.,Sect.B. 38, 1185, 1982 See also R2 : 1.3
(Acetoxyethyl) - trimethylammonium hydrogen (:1:) - tartrate Acetylcholine hydrogen (±)- tartrate C4H~06-. C7H16N02+ B.Jensen Acta Crystallogr.,Sect.B, 38,1185, 1982 See also R2 : 1,3
Succinic acid (neutron study, at 77"K) C4H60 4 J.-L.Leviel, G.Auvert, J.-M.Savariault Acta Crystallogr.,Sect.B, 37,2185, 1981
Succinic acid (neutron study) c.H.o. J.-L.Leviel, G.Auvert, J.-M.Savariault Acta Crystallogr.,Sect.B, 37,2185, 1981
Potassium fluoride succinic acid C4 H604 , K+,F- J.Emsiey, D.J.Jones, R.S.Osborn, R.E.Overill J. Chem.Soc.,Dalton Trans., 809, 1982
d - Tartaric acid tris(2 - aminoethanesulfenato) - cobalt(iii) monohydrate (absolute configuration) C•HeOe, CaH1aCoN303S3, H20 Main entry is 85.10
tris(Formamido)- methane (at 100"K) C•H7N303 G.Munninghoff Cryst.Struct.Commun., 10,1159, 1981
bis(Dimethylacetamidonium) bis(dimethylacetamide) octabromo - di - rhenium(iii) 2C4 H10NO+, 2C4 H9NO, Br8 Re2
2 -
Thioxanthonium bis(carbomethoxy) - methylide C~H604 -, C13H60S+ Main entry is 39.24
ALIPHATIC CARBOXYLIC ACIDS AND THEIR DERIVATIVES
1.19
1.20
1.21
122
123
1.C
1.24
1.25
l.C
l.C
l.C
l.C
(Z) - Methyl - fJ - methylamino - a - nitroacrylate l.C (at -120°C) C5H8N20• V.G.Andrianov, Yu.T.Struchkov, K.K.Babievsky Cryst.Struct.Commun., 11,35,1982 See also R1 : 3
(E) - 3 - Monodeutero - 2 - (carboxymethoxy) - maleic acid dihydrate C8 H5D07• 2H20 H.van Koningsveld, C.A.M.Vijverberg, J.C.Jansen Cryst.Struct.Commun .. 11,793,1982
(E) - Methyl - , - dimethylamino - a - nitroacrylate (at -1200C) C8 H10N204 V.G.Andrianov, Yu.T.Struchkov, K.K.Babievsky Cryst.Struct.Commun .. 11,35,1982 See also R1 : 3
3,3' - Thiodipropionic acid C8H100 4S K.Prout, S.Hernandez-Cassou Acta Crystallogr.,Sect.B, 38,338,1982 See also R1 : 11
3.3' - Dithiodipropionic acid C8H100 4S2
K.Prout, S.Hernandez-Cassou Acta Crystallogr.,Sect.B, 38,338, 1982 See also R1 : 11
1,4,7,10,13.16 - Hexaoxacyclo - octadecane phenylcarbamate clathrate 18 - Crown - 6 phenylcarbamate clathrate , 2C,H,N02. C12H2408 Main entry is 61.11
2 - Cyanomethyl - 2 - methyl - 3 - oxobutanamide 3 - Aminocarbonyl - 3 - methyl - 4 - oxo­ pentanoic nitrile C7H10N20 2 R.Schwezinger, R.Waditschatka. J.Rigby, R.Nordmann. W.B.Schweizer, E.Zass, A.Eschenmoser Helv. Chim.Acta, 65, 600, 1982 See also R1 : 7
(S) - Methyl - (3Z) - 3 - methoxy - 4 - (methylthio) - 2 - oxo - but - 3 - ene - thioate C7H100 3S2
C.H.Eugster, M.Balmer, R.Prewo, J.H.Bieri Helv. Chim.Acta, 64, 2636, 1981 See also R1 : 11
9,9 - Dideutero - thioxanthenium bis(carboethoxy) - methylide C7H1004 -. C13H8D2S+ Main entry is 39.23
(Acetoxyethyl) - trimethylammonium hydrogen (+)-tartrate (form ii) Acetylcholine hydrogen ( +) - tartrate C7H18N02+, C4H508 - Main entry is 1.11
(Acetoxyethyl) - trimethylammonium hydrogen (+)- tartrate (form i) Acetylcholine hydrogen ( +) - tartrate C7H16N02+, C4H508- Main entry is 1.12
(Acetoxyethyl) - trimethylammonium hydrogen (±) - tartrate Acetylcholine hydrogen (±)- tartrate C7H16N02+, C4H506 - Main entry is 1.13
l.C
126
127
l.C
l.C
l.C
128
1.29
I.C
1.30
l.C
1.31
l.C
l.C
2
(4 - Chlorophenoxy)- acetic acid (herbicide) C8H7Cl03 Main entry is 17.6
Phenoxyacetic acid C8H803 Main entry is 17.7
Methyl (Z)- 2 - acetamido - 4 - methoxybut - 2 - enoate CaH13N04
J.W.Scott, D.D.Keith, G.Nix Junior, D.R.Parrish, S.Remington, G.P.Roth, J.M.Townsend, D.Valentine Junior, R.Yang J.Org.Chem., 46,5086,1981
Mercaptoethylamine - triacetic acid monohydrate C8H13N08S, H20 L.M.Shkol'nikova, V.Ya.Temkina, N.M.Dyatlova, Ya.Podlaga Zh.Strukt.Khim., 23(1), 135, 1982 See also R1 : 3,11
(±) - 2 - (4 - Chlorophenoxy) - propionic acid C9H9Cl03 Main entry is 17.9
(p - Methylphenoxy) - acetic acid C9H1003 Main entry is 17.10
(±) - 2 - Phenoxypropionic acid C8H1003 Main entry is 17.11
Methyl , - nitro - cinnamate (at -120°C) C10H9N04
V.G.Andrianov. Yu.T.Struchkov, K.K.Babievsky Cry st. Struct. Commun., 11, 31. 1982
a - Methyl - trans - cinnamic acid C10H1002 R.F.Bryan, D.H.White Acta Crystallogr.,Sect.B, 38, 1332, 1982
2 - (4 - Chlorophenoxy) - 2 - methylpropionic acid C10H11Cl03 Main entry is 17.13
Thiosemicarbazono - (methyl) - anilide hemihydrate C10H12N40S, 0.5H20 V.Kh.Kravtsov, V.N.Byushkin, N.I.Belichuk, L.A.Nezhel'skaya Kristallografiya, 27, 74, 1982 See also R1 : 9
2 - Methyl - 2 - phenoxypropionic acid CloH 1203 Main entry is 17.14
(R) - 7 - Amino - , - (p - chlorophenyl) - butyric acid monohydrochloride (antispastic drug, absolute configuration) (R) - Baclofen monohydrochloride C1oH13ClN02+· Cl- C.-H.Chang. D.S.C.Yang. C.S.Yoo, B.-C.Wang, J.Pletcher, M.Sax, C.F.Terrence Acta Crystallogr.,Sect.B. 38,2065. 1982 See also Rl : 3
Biotin (at 115°K) Vitamin H C10H18N203S Main entry is 39.18
Ethyl (Z) - 2 - nitro - 3 - (4 - nitrophenyl) - acrylate C11H10N208 Main entry is 15.3
1.32
l.C
l.C
1.33
l.C
1.C
l.C
1.34
1.C
l.C
l.C
1.35
l.C
l.C
l.C
l.C
l.C
(2E,4E) - 2 - Cyano - 4 - methyl - 5 - thiocyanato - 2,4 - hexadienoic acid ethyl ester C11H,2N202S P.Knuuttila, H.Knuuttila, B.Schulze, M.Muhlstadt, J.Kaiser Acta Crystallogr.,Sect.B, 38,335, 1982 See also R1 : 11,7
p - Ethoxy - cinnamic acid C11H120 3 Main entry is 17.16
2 - Ethoxy - cis - cinnamic acid C11H1203 Main entry is 17.17
(N - Cyclohexyl) - 3,3 - bis(trifluoromethyl) - pyruvamide (at -120°C) C11H13F 8N02
A.I.Yanovskii, A.E.Kalinin, Yu.T.Struchkov, E.G.Bikhovskaya, l.L.Knunyants Zh.Strukt.Khirn., 22(3),125, 1981
1 - (Ethoxycarbonylmethylene) - 2 - methyl - cyclohexane - 2,3,5 - triol C11H 180~ Main entry is 21.7
(1 - Hydroxy - 2.2.6 - trimethylcyclohexyl) - acetic acid C11H2003 Main entry is 21.8
Ethyl pyruvate - 2 - methyl - 4 - chloro - phenylhydrazone C12H 1~CIN202 Main entry is 16.17
Dodecanedioic acid c,2H2204 M.Vanier, F.Brisse Acta Crystallogr.,Sect.B, 36,643, 1982
p- n - Butoxy- cinnamic acid C13H 1803 Main entry is 17.29
bis(2 - Chlorophenoxy) - acetic acid C14H10CI204 Main entry is 17.31
bis(4 - Chlorophenoxy) - acetic acid C14H10CI204 Main entry is 17.32
(N - Phenylthiosemicarbazono) - methyl - (N.N - diethylamide) C14H20N40S E.V.Slavyanov, V.N.Byushkin, T.l.Malinovskii. N.I.Belichuk, L.A.Nezhel'skaya Dokl.Akad.Nauk SSSR. 260,1131, 1981 See also R1 : 8
Ethyl - 1.2.2 - tricyano - 3 - (4 - nitrophenyl)­ cyclopropane - 1 - carboxylate C 1~H 10N 404 Main entry is 20.16
Diethyl- 2- (p- nitrophenylhydrazono)- 3- oxopentanedioate (monoclinic form) C1~H 17N307 Main entry is 16.24
Diethyl - 2- (p- nitrophenylhydrazono)- 3- oxopentanedioate (orthorhombic form) C 1~H 17N 307 Main entry is 16.25
p - n - Hexyloxy - cinnamic acid C 1~H 2003 Main entry is 17.34
Diethyl- 2- (o- methylphenylhydrazono)- 3- oxopentanedioate C 16H 20N 20~ Main entry is 16.27
1.36
l.C
l.C
l.C
1.C
l.C
l.C
l.C
1.37
1.C
1.C
1.38
l.C
l.C
3
bis(S - Uethyl) - (2Z,4E,6Z) - 2,3,6,7 - tetramethoxy - 4,5 - bis(methylthio) - octa - 2,4,6 - triene - thioate C16H2406S4 C.H.Eugster, M.Balmer, R.Prewo, J.H.Bieri Helv. Chirn.Acta. 64, 2636, 1981 See also R1 : II
1.4 - trans - Cyclohexylene - dimethyl - succinate C16H2408 Main entry is 21.17
2,3 - Dichloro - 4 - (p - fluorobenzoyl - ethylene) - phenoxyacetic acid C17H11CI2F04 Main entry is 17.37
p- n- Octyloxy- cinnamic acid C17H2403 Main entry is 17.38
2,3 - Dichloro - 4 - (2 - methoxybenzoyl - ethylene)- phenoxyacetic acid C18H14Cl20~ Main entry is 17.40
1,4 - trans - Cyclohexanediyl - dimethylene - 3,3' - bis(methoxycarbonyl) - dipropionate C,8H2808 Main entry is 21.18
2,3 - Dichloro - 4 - (2,5 - dimethoxybenzoyl - ethylene)- phenoxyacetic acid C19H16CI206 Main entry is 17.45
2 - (Diethylamino) - ethyl - 1 - cyclohexylcyclohexane - carboxylate hydrochloride (anticholinergic drug) Dicyclomine hydrochloride C19H36N02+, CI- Main entry is 21.21
2 - sec - Butoxycarbonyl - 2' - n - propoxycarbonyl - 2' - cyano - p - divinylbenzene (fl form) c.oHz3No. J.van Mil, L.Addadi, M.Lahav, L.Leiserowitz J. Chern. Soc., Chern. Cornrnun., 584, 1982 See also R1 : 7.19
10 - Nor - 9.11 - seco - prostaglandin F(2a) methyl ester C20H360~ Main entry is 59.32
3 - Palmitoyl - DL - glycerol - 1 - phosphorylethanolamine C21H44N07 P Main entry is 46.7
1.2 - Dimethyl - 4 - phenyl - 3 - phenylsulfinyl - butane - 1,4 - diacetate (at -172°C) C22H280~S D.R.Williams, J.G.Phillips. J.C.Huffman J. Org. Chern .. 46, 4101. 1981 See also R1 : 11
(aR,1'R,1"R) - N - (1 - Uethyl - 6 - phenyl - 4 - oxo - 3 - oxa - 4 - azahept - 1 - yl) - N - chloroacetyl- 2- ethyl- 6- methyl- aniline (absolute configuration) C23H29CIN203 Main entry is 16.36
(aS.l'R,1"R) - N - (1 - Uethyl - 6 - phenyl - 4 - oxo - 3 - oxa - 4 - azahept - 1 - yl) - N - chloroacetyl - 2 - ethyl - 6 - methyl - aniline (absolute configuration) C23H29CIN203 Main entry is 16.37
1.C a - (1 - Nitro - penta - acetoxy - 2 - heptyl) - fJ - methylamino - crotonic acid methyl ester C23H34N20 14 Main entry is 45.44
l.C a - (1 - Nitro - penta - acetoxy - 2 - heptyl) - fJ - methylamino - crotonic acid ethyl ester C24H38N20 14 Main entry is 45.46
l.C Chloramphenicol palmitate ({J form) C27H42Cl2N208 Main entry is 50.13
1.39 2,3 - Dilauroyl - D - glycerol 1.2 - Dilauroyl - sn -glycerol C2,H,2o, l.Pascher, S.Sundell. H.Hauser J.Mol.Biol., 153,791.1981
ALIPHATIC CARBOXYLIC ACID SALTS (AMMONIUM,IA,IIA METALS)
2.1 Cesium hydrogen diformate CH02-. CH202, Cs+ V.K.Trunov, Yu.A.Velikodni, A.D.Chubinidze, T.M.Sas Koord.Khim., 8, 94, 1982 See also R1 : 1
1.C (:t) - t - Butyl - 9 - acetoxy - 13 - ethyl - 3 - 22 hydroxy - 5,6:11.12 - bis(isopropylidenedioxy) - 2,4,6,8J0.12 - hexamethyl - 14J6 - dioxaheptadecanethioate
Potassium hydrogen diformate CH02-. CH20 2• K+ V.K.Trunov, Yu.A.Velikodni, A.D.Chubinidze. T.M.Sas Koord.Khim., 8, 94, 1982
C3,H840 1gS Main entry is 38.155
1.40 bis(3,3.3 - Triphenylpropanoyl) - peroxide benzene solvate C42H3404, 2C8H8
D.W.Walter. J.M.McBride J.Am.Chem.Soc., 103,7074, 1981
4
2.3
Rubidium hydrogen diformate CH02-. CH202, Rb+ V.K.Trunov, Yu.A.Velikodni. A.D.Chubinidze, T.M.Sas Koord.Khim., 8, 94, 1982 See also R1 : 1
2.4 Sodium formate (at 120"K. crystal i, all-data refinement) CH02-. Na+ H.Fuess, J.W.Bats, H.Dannohl. H.Meyer, A.Schweig Acta Crystallogr.,Sect.B, 38,736,1982
2.5 Sodium formate (at 120"K. crystal i, high-angle refinement) CH02-. Na+ H.Fuess, J.W.Bats, H.Dannohl, H.Meyer, A.Schweig Acta Crystallogr.,Sect.B. 38,736, 1982
2.6 Sodium formate (at 120"K. crystal ii, all-data refinement) CH02-. Na+ H.Fuess, J.W.Bats, H.Dannohl, H.Meyer. A.Schweig Acta Crystallogr.,Sect.B. 38,736,1982
2.7 Sodium formate (at 120"K, crystal ii, high-angle refinement) CH02-. Na+ H.Fuess, J.W.Bats, H.Dannohl. H.Meyer, A.Schweig Acta Crystallogr.,Sect.B. 38,736, 1982
2.8 Sodium formate (neutron study, at 120"K) CH02-. Na+ H.Fuess. J.W.Bats, H.Dannohl. H.Meyer. A.Schweig Acta Crystallogr.,Sect.B. 38,736, 1982
2.9 Trisodium triformate formic acid 3CH02-. CH202, 3Na+ V.K.Trunov, A.D.Chubinidze, Yu.A.Velikodni. V.A.Efremov Koord.Khim., 7, 1422, 1981 See also R2 : 1
2.10 Potassium tetraoxalate dihydrate C2H04 -. C2H204. K+, 2H20 J.Emsley. D.J.Jones. R.Kuroda J.lnorg.Nucl.Chem., 43,2243, 1981 See also R2 : 1
2.11
2.12
2.13
2.14
2.15
2.16
2.17
Sodium hydrogen oxalate monohydrate (neutron study, at 120"K) C2 H04 -. Na+, H20 R.Delaplane, R.Tellgren, I.Olovsson Acta Crystallogr.,Sect.A, 37, Cl27, 1981 See also Rl : I
Potassium methyl - oxoxanthate C2H30 2S-, K+ K.Klaeser, G.Kiel, G.Gattow Z.Anorg.Allg. Chem., 483,114, 1981 See also Rl : 11
Rubidium methyl - oxoxanthate C2H302S-, Rb+ K.Klaeser, G.Kiel, G.Gattow Z.Anorg.Allg.Chem., 483,95,1981 See also R1 : 11
Sodium 1.1 - dihydroxy - acetate C2H304 -. Na+ R.Mattes, G.Uckelmann Acta Crystallogr.,Sect.B, 37,2071, 1981
Barium bill(hydrogen oxalate) barium oxalate dihydrate C20.2-. 2C2Ho.-. 2Ba2+, 2H20 J.C.Mutin, Y.Dusausoy J.Solid State Chem., 38,394, 1981
Calcium oxalate monohydrate (derivative structure) Whewellite C20 42-, ca2•. H20 S.Deganello, O.E.Piro Neues Jahrb.Mineral.,Monatsh., 112.81, 1981
Calcium oxalate trihydrate (triclinic form) C20 42-, caz+, 3H20 N.S.Blom, J.A.Kanters, W.M.M.Heijnen Cryst.Struct.Commun., 10,1283, 1981
2.18 Calcium oxalate trihydrate (triclinic form) C2 0 4 2-. Ca2+, 3H20 S.Deganello, A.R.Kampf. P.B.Moore Am. Miner., 66,859, 1981
2.19 bis(Barium oxalate) monohydrate 2C20 4 2-, 2Ba2+, H20 J.C.Mutin, Y.Dusausoy, J.Protas J. Solid State Chem., 36, 356, 1981
2.20 Potassium hydrogen monofluoromalonate monohydrate C3H2F04 -. K+, H20 A.L.Spek, A.T.H.Lenstra Cry st. Struct. Commun., 10, 1527, 1981 See also Rl : I
2.21 Dicalcium lead hexakis{propionate) (at 340"K) 6C3H~02 -. 2Ca2+, Pb2+ G.A.Kiosse, P.A.Petrenko, O.G.Nantoi, T.I.Malinovskii, L.N.Milkova lzv.Akad.Nauk Mold.SSR. 28, 1981
2.22 Dicalcium strontium hexakis{propionate) {paraelectric phase, absolute configuration) 6C3H~02 -. 2Ca2+, Sr2+ K.ltoh, N.Mishima, E.Nakamura J.Phys Soc.Jpn., 50,2029, 1981
5
223 Dicalcium strontium hexakis{propionate) 6C3H~02-, 2Ca2+, Sr2+ G.A.Kiosse, P.A.Petrenko, O.G.Nantoi, T.I.Malinovskii, L.N.Milkova fzv.Akad.Nauk Mold.SSR, 28, 1981
224 Ammonium hydrogen oxydiacetate C4H~O~-. H4 N+ H.Herbertsson, B.Hedman Acta Crystallogr.,Sect.B. 38,320, 1982 See also R1 : I
2.C Piperazinium adipate C8H80 4
2-. C4 H12N22+ Main entry is 33.2
2.C Piperazinium bis{heptanoate) 2C7 H1302-. C4 H12N22+ Main entry is 33.3
225 threo - o - Bromo - mandelamidinium mandelate C8H703-. C8H10BrN20+ J.lball, J.N.Low, D.G.Neilson, C.H.Morgan Cryst.Struct.Commun., 11,349, 1982 See also R2 : 8
226 erythro - o - Bromo - mandelamidinium mandelate C8H,03-. C8H10BrN20+ J.lball, J.N.Low, D.G.Neilson, C.H.Morgan Cryst.Struct.Commun., 11.349,1982 See also R2 : 8
2.C Piperazinium suberate
C8H120 4 2-, C4H12N22+ Main entry is 33.4
Piperazinium bis(octanoate) 2C8H 1~02-, C4 H12N22+ Main entry is 33.5
L- Lysine D- pantothenate C9H 18NO~-. C8H 1~N 202+ Main entry is 48.12
Piperazinium bis(n - dodecanoate) 2C12H2302-, C4H12N22+ Main entry is 33.6
ALIPHATIC AMINES
bis(Ethanolamine) phosphoric acid 2C2H7NO, H30 4P Z.lsabaev, B.T.Jbragimov, S.A.Talipov, M.T.Saibova, T.F.Aripov Zh.Neorg.Khirn., 26,2011, 1981
2 - Amino - ethyl hydrogen sulfate C2H7 N04S A.R.I.Munns, J.N.Low, P.Tollin. D.W.Young Cryst.Struct.Cornrnun., 10,1431.1981 See also R1 : 11
Dimethylammonium tetra - aqua - bis(sulfato) - holmium C2H8N•. H8 Ho012S2 -
A.Arhar, L.Golic, V.Jordanovska, J.Siftar Vestn.Slov.Kem.Drus., 28,311, 1981
bis(Dimethylammonium) tetrachloro - chromium(ii) 6C2H,N•. CI12Cr3e- M.A.Babar, M.F.C.Ladd, L.F.Larkworthy, D.C.Povey, K.J.Proctor, L.J.Summers J. Chern. Soc .. Chern. Cornrnun.. 1046, 1981
tetrakis(Ethylenediamine) barium antimony- di­ selenide 4nC2H8 N2• nBaZ+, nSb2Se4 2-
T.Konig, B.Eisenmann, H.Schafer ZAnorg.Allg.Chern., 488,126.1982
Ethylenediammonium tetra - tartrato - 18 - crown - 6 trihydrate CzH 10N2
2 +, C18H220 14 2-. 3H20 Main entry is 38.74
Ethylenediammonium hexafluoro - zirconium CzH 1oN 22 +. F 8Zr2 -
I.P.Kondratyuk, M.F.Eiberman. R.L.Davidovich, M.A.Medkov, B.V.Bukvetskii Koord.Khirn., 7, 1109, 1981
Ethylenediammonium aqua - tetrafluoro - uranium CzHtoNz2•. HzF403U2 -
S.B.Jvanov. R.L.Davidovich, Yu.N.Mikhailov, R.N.Shchelokov Koord.Khirn., 8, 211. 1982
6
2•. 2F7Zr3-. 2H20 I.P.Kondratyuk, B.V.Bukvetskii, R.L.Davidovich. M.A.Medkov Koord.Khirn .. 8, 218, 1982
3.11 bis(Trimethylammonium) hexachloro - tellurium(iv)
hexakis(Propylammonium) heptamolybdate(vi) trihydrate 6C3H10N+, Mo7024
8-, 3H20 Y.Ohashi, K.Yanagi, Y.Sasada, T.Yamase Bull.Chern.Soc.Jpn., 55,1254, 1982
hexakis(lsopropylammonium) heptamolybdate(vi) trihydrate 6C3H10N+, Mo7024
8 -. 3H20 Y.Ohashi, K.Yanagi, Y.Sasada, T.Yamase Bull.Chern.Soc.Jpn., 55,1254,1982
1,3 - Diaminopropane dihydrochloride Trimethylenediammonium dichloride C3H,2N2
2 +, 2CI- J.Brisson. F.Brisse J. Cry st. Spectrosc., 12, 39, 1982
Propane - 1.3 - diammonium tetrachloro - chromium(ii) C3H12N2
2 +, CI4Cr2 -
bis(Propane - 1,3 - diammonium) bis(l'z - chloro) - hexachloro - diaqua - di - nickel 2C3H12N2
2 +, H4 CI8 Ni202•-
C.P.Landee, R.D.Willett Inorg. Chern .. 20, 2521, 1981
Tetramethylammonium 1.3.5 - trichloro - 5 - hydroxy - 1.3 - dioxo - 1,3 - >.• - dithia - 2,4,6 - triaza- 5- .).& - phosphorinane C4 H1zN+, CI3N303PSz- F.van Bolhuis, B.de Ruiter, J.C.van de Gram pel J.Chern.Soc.,Chern.Cornrnun .. 1065.1981
bis(Tetramethylammonium) tetrakis(isothiocyanato) - cobalt(ii) nitromethane solvate 2C4H12N+, C4CoN 4S4
Diethylammonium 2,5 - dihydroxybenzene - 1.4 - disulfonate 2C4 H12N+, C8 H408S22- Main entry is 17.1
bis(Tetramethylammonium) trans - dinitrato - tetrachloro - cerium(iv) 2C4 H12N+, CeC14 N208
2 -
3 -
3.21
322
323
324
325
326
bis(Tetramethylammonium) bis(~£2 - sulfido) - tetranitroso - di - iron bis(Tetramethylammonium) red Roussin salt 2C•HtzN•, FezN 4 0 4 S22- L.Xian-ti, H.Jun-ling, L.Jia-xi Acta Crystallogr.,Sect.A, 37, C232, 1981
bis(Tetramethylammonium) bis(~£1 - fluoro) - bis(aqua - difluoro - oxo - vanadium(iv)) 2C4H12N•, H4F 80 4 V22- P.Bukovec, S.Milicev, A.Demsar, L.Golic J.Chern.Soc.,Dalton Trans., 1802,1981
tetrakis(Tetramethylammonium) hexakis{isothiocyanato) - nickel(ii) 4C4H12N•, C8N1 NiS8
4- D.W.Hoffman, J.S.Wood Cryst. Struct. Cornrnun., 11. 691, 1982
tetrakis(Tetramethylammonium) (6£3 - oxo) - tris{~£1 - oxo) - aqua - octathiocyanato - tri - molybdenum(iv) trihydrate 4C4H12N+, C8H2Mo3N10~S,•-. 3H20 E.O.Sch1emper, M.S.Hussain, R.K.Murmann Cryst.Struct.Cornrnun., 11, 89,1982
bis{Tetramethylammonium) catena - tetrakis{~£1 -
thio) - bis{cyano - copper) - molybdenum 2nC4H12N•, nC2Cu2MoNzS42- A.Muller, M.Dartmann, C.Romer, W.Clegg. G.M.Sheldrick Angew.Chern.,/nt.Ed.Engl., 20,1060,1981
bis{Dimethylamino) - tetrasulfur - ,.tetranitride C4H12N8S4
H.W.Roesky, C.Pelz, A.Gieren, E.Hadicke Z.Naturforsch., Teil B, 36,1437,1981
3.C
3.30
3.C
3.C
3.C
3.C
3.C
p - (Aminomethyl) - benzenesulfonamide hydrochloride (sulfa drug) 4 - Homosulfanilamide hydrochloride C7H11N202S+, CI- C.Chatterjee, J.K.Dattagupta, N.N.Saha Acta Crystallogr.,Sect.B, 37,1835, 1981 See also R1 : 11
(Acetoxyethyl) - trimethylammonium hydrogen (+)-tartrate (form ii) Acetylcholine hydrogen(+)- tartrate C7H18N02+, C4H~08- Main entry is 1.11
(Acetoxyethyl) - trimethylammonium hydrogen (+)-tartrate (form i) Acetylcholine hydrogen ( +) - tartrate C7H18N02•. C4H~08- Main entry is 1.12
(Acetoxyethyl) - trimethylammonium hydrogen {:t:) - tartrate Acetylcholine hydrogen (±) - tartrate C7H18N02+, C4H508- Main entry is 1.13
Mercaptoethylamine - triacetic acid monohydrate C8H13N08S, H20 Main entry is 1.27
Tetraethylammonium 2,3 - dichloro - 5,6 - dicyano - p - benzoquinone C8H20N+, C8CI2N202- Main entry is 60.12
3.C (Z) - Methyl - fl - methylamino - a - nitroacrylate 3.31
(at -12o•c)
hydrido) - decacarbonyl - tri - rhenium CaHzoN•, CtoH3ClOtoRe3-
3.27
3.C
C~H8N204 Main entry is 1.19
bis(n - Pentylammonium) tetrachloro - zinc (room temperature phase) 2C~H 14 N+, Cl4Zn2- F.J.Zuniga, G.Chapuis Acta Crystallogr.,Sect.A, 37, C103, 1981
bis(2,6 - ({1£2 - 1.10 - Diaza - 4,7,13,16 - tetraoxacyclo - octadeca - 1.10 - diyl) - methyl) - naphthalene) pentamethylene- diammonium bis(2- bromo- 4.6- dinitrophenolate) tetrahydrofuran solvate clathrate C5H1eN22+, C48H18N408. 2C1 H2BrN205 -, 2C4 H80 Main entry is 61.48
3.C (E) - Methyl - fl - dimethylamino - a - nitroacrylate (at -12o•c) C8H10N204 Main entry is 1.21
328 tris(2 - Hydroxyethyl)amine (at 140•K) C8H 1~N03 D.Brodalla, D.Mootz Angew.Chern.,Jnt.Ed.Engl., 20,791,1981
3.29 bis(Triethylammonium) hexachloro - tin(iv) 2C8H18N•, Cl8Sn2- 0.Knop, T.S.Cameron, M.A.James, M.Falk Can.J. Chern., 59, 2550, 1981
3.C tris(2 - Hydroxyethyl)ammonium 2 - methylphenoxyacetate Krezatsine C6 H16N03+, C9 H1003 - Main entry is 17.12
7
3.32
3.33
Tetraethylammonium trichlorophosphorus{iii) chloride C8H20N+, Cl3 P. CJ- K.B.Dillon, A.W.G.Platt, A.Schmidpeter, F.Zwaschka, W.S.Sheldrick Z.Anorg.Allg.Chern., 488, 7,1982
3.34 bis(Tetraethylammonium) (~£1 - carbido)­ octakis(tricarbonyl - rhenium) 2C8H20N+, C2~024Re82- G.Ciani, G.D'Alfonso, M.Freni, P.Romiti, A.Sironi J.Chern.Soc.,Chern.Cornrnun., 705,1982
3.35 tris(Tetraethylammonium) heptacosa- carbonyl - dodeca - rhodium - antimony 3C8H20N+, C27027Rh 12Sb3 -
J.L.Vidal, J.M.Troup J. Organornet. Chern., 213, 351, 1981
3.36 tetrakis(Tetraethylammonium) isopolyvanadate monohydrate 4C8H20N•, 02,V1o4-. HzO A.Bino, S.Cohen, C.Heitner-Wirguin lnorg.Chern., 21,429,1982
ALIPHATIC AMINES
3.C
3.C
3.37
3.38
3.39
3.40
3.C
3.41
3.42
3.C
3.43
3.44
t - Butyl - (1.2 - dimethylprop - 1 - enyl) - ammonium trichloro - (I - methyl - I - t - butylaminoethyl - C',N) - t - butylimido - tungsten C9 H20N'. C12H28CI3 N2 W- Main entry is 71.56
(R) - 1 - Amino - {J - (p - chlorophenyl) - butyric acid monohydrochloride (antispastic drug, absolute configuration) (R) - Baclofen monohydrochloride C10H13ClN02•, Cl- Main entry is 1.31
bis(Benzyltrimethylammonium) (p.4 - carbido) - dodecacarbonyl - tetrahedra - tetra - iron 2C10H18N+, C13Fe4 0 12
2 -
4 -. C3H80 V.G.Albano, D.Braga, P.Chini, G.Ciani, S.Martinengo J.Chem.Soc .. Dalton Trans., 645, 1982
1.3 - Di - t - butyl - 1 - methylcyanamidium hexachloro - antimony C1oHz1N2•. Cl8Sb- J.Lambrecht. L.Zsolnai, G.Huttner, J.C.Jochims Chem.Ber., 114,3655,1981
3 - Dimethylamino - 1 - phenylpropan - 1 - one hydrochloride monohydrate · C11H18NO•, Cl-. H20 E.O.Schlemper, T.S.Mansour, E.M.Kaiser Acta Crystallogr.,Sect.B, 38,625, 1982
(3,4 - Dihydroxyphenethyl) - trimethylammonium bromide Coryneine bromide C11H18N02 •. Br- Main entry is 17.18
(±) - N - Ethyl - m - (trifluoromethyl) - amphetamine hydrochloride Fenfluramine hydrochloride CtzH 1,F3N•, Cl- G.L.Grunewald, M.W.Creese. M.W.Extine Acta Crystallogr.,Sect.B, 37, 1790, 1981
Benzyloxycarbonyl - aza - a' - homoglycine - dimethylamide C12H17N30 3
A.F.Mishnev, Ya.Ya.Bleidelis, Yu.E.Antsans, G.l.Chipens Latv.PSR Zinat.Akad. Vestis.Kim.Ser., 494, 1981
t - Butyl - (2 - (3,5 - dihydroxyphenyl) - 2 - hydroxyethyl) - ammonium hemi - sulfate sesquihydrate C12H20N03 •, 0.504S2 -. 1.5H20 Main entry is 17.19
1.12 - Diaminododecane dihydrochloride monohydrate C12H30N2
2 '. 2CI-. H20 R.McNeil. W.R.Scheidt, J.K.Thomas Mol. Cryst.Liq. Cry st .. 78, 85, 1981
2 - Benzoyl - 3 - dimethylamino - 3 - methylthio- 2- propenenitrile c,3H 14N20S D.Adhikesavalu, K.Venkatesan Acta Crystallogr.,Sect.B. 37,2048, 1981 See also R1 : 11,7
3.C
3.45
3.46
3.47
3.48
3.49
3.50
3.51
3.52
3.53
3.54
3.55
8
N -Isopropyl- N -methyl - di - t­ butylketeniminium hexachloro - antimony (at 233°K) C14H28N'. Cl8Sb- J.Lambrecht, L.Zsolnai. G.Huttner, J.C.Jochims Chem.Ber., 115,172.1982
Tetra - n - butylammonium tetrabromo - gold(iii) C16H36N•, AuBr4 -
J.P.Johnson, H.B.Krause, E.G.Sherry Acta Crystallogr.,Sect.A, 37, C227, 1981
Tetra- n- butylammonium bromo- trichloro­ indium C16H36N•, BrC13In­ M.A.Khan, D.G.Tuck Acta Crystallogr.,Sect.B. 38,803. 1982
Tetra - n - butylammonium tribromo- chloro­ indium C16H36N+, Br3CIIn­ M.A.Khan, D.G.Tuck Acta Crystallogr .. Sect.B, 38,803, 1982
Tetra - n - butylammonium tetrabromo - indium C16H36N+, Br4 In- M.A.Khan, D.G.Tuck Acta Crystallogr.,Sect.B, 38,803, 1982
Tetra - n - butylammonium tetrachloro - indium C18H38N+, Cl 4 In- M.A.Khan, D.G.Tuck Acta Crystallogr .. Sect.B. 38,803, 1982
Tetra - n - butylammonium tri - iodo - mercury(ii) (at 200°K) C18H38N+, Hgi3 -
P.L.Goggin, P.King, D.M.McEwan, G.E.Taylor. P.Woodward, M.Sandstrom J. Chem. Soc.,Dalton Trans., 875, 1982
bis(Tetra - n - butylammonium) bis(p.2 -
2 -
bis(Tetra- n - butylammonium) bis(p.2 - chloro)­ bis(dichloro - mercury(ii)) 2C18H38N'. Cl8Hg2
2 -
bis(Tetra - n - butylammonium) octachloro - di - technetium(iii) 2C18H38N•. Cl6Tc2
2 -
bis(Tetrabutylammonium) nonadeca - oxo - hexa - molybdenum(vi) 2C18H38N'. Mo60 19
2 -
P.Dahlstrom, J.Zubieta, B.Neaves. J.R.Dilworth Cryst.Struct.Commun .. 11,463.1982
3.56 bis(Tetra- n - butylammonium) oxo- octathio­ tri - tungsten 2C16H36N+, OS8 W 3Z-
K.Hanewald, G.Kiel. G.Gattow Z.Anorg.Allg.Chem., 478,215,1981
3.57 (S)- a -Methyl- N - (phenylmethyl) benzenepropanamine hydrochloride (absolute configuration) (S) - N - Benzyl - 1 - methyl - 3 - phenylpropylamine hydrochloride
ALIPHATIC {N AND S) COMPOUNDS
C17HzzN+, CI- 4.C Tetraphenylphosphonium N,N' - bia(trifluoromethylsulfonyl) - S - (ethoxy) - sulfur di- imide
3.58
3.C
3.C
3.C
3.59
P.Murray-Rust, J.Murray-Rust, D.Hartley, J.Ciifton Acta Crystallogr.,Sect.B. 38, 306. 1982
1 - Nitro - 2,5 - diphenyl - 3 - azahepta - 1.5 - diene C18H18Nz0z A.Hassner, R.D'Costa, A.T.McPhail, W.Butler Tetrahedron Lett., 22, 3691. 1981
p - Hydroxy - a - (1 - ((1 - methyl - 2 - phenoxyethyl) - amino) - ethyl) - benzyl alcohol hydrochloride lsoxsuprine hydrochloride C18H24N03+, CI- Main entry is 17.43
1 - (4 - Hydroxyphenyl) - 2 - (3 - phenyl - 1 - methylpropyl) - amino - ethanol hydrochloride (adrenergic agent) Nylidrin hydrochloride C18Hz6N02+, CI- Main entry is 17.46
2 - (Diethylamino) - ethyl - 1 - cyclohexylcyclohexane - carboxylate hydrochloride (anticholinergic drug) Dicyclomine hydrochloride C18H36N02+, CI- Main entry is 21.21
Hexadecyl - trimethylammonium bromide Cetrimide C18H42N+, Br- J.M.Grochowski Acta Crystallogr.,Sect.A. 37, C74, 1981
3.C N(CoJ),N(CoJ') - bis(2 - Yethylthiothiocarbonyl - cyclopent - 1 - en - 1 - yl) - CoJ.CoJ' - triethylenetetramine C20H34N4S4 Main entry is 20.27
3.C 3 - Palmitoyl - DL - glycerol - 1 - phosphorylethanolamine C21 H44N07P Main entry is 46.7
3.60 bis(1 - Phenyl - butane - 1,3 - dione) - 1,2 - diaminoethane N,N' - Ethylene - bis(benzoyl - acetonimine) Cz2H24N202 S.Z.Haider, A.Hashem, K.M.A.Malik, M.B.Hursthouse J.Bangladesh A cad. Sci., 5, 85, 1981
4.1
42
4.3
4.4
4.5
9
N - Dichloroacetyl - S.S - diethylsulfilimine C6H11Cl2NOS A.Kalman, T.Koritsanszky, I.Kapovits, A.Kucsman Acta Crystallogr.,Sect.B, 38,1843, 1982
N,N' - Di - t - butyl sulfamide C8HzoNzOzS J.L.Atwood, A.H.Cowley, W.E.Hunter. S.K.Mehrotra lnorg. Chem.. 21, 435, 1982
N - (2 - Bromo - 2 - propenylsulfinyl) - 4 - methylbenzene sulfonamide C10H12BrN03S2 U.Schubert, K.Ackermann, G.Kresze. R.Bussas Cryst.Struct.Commun., 11.769, 1982
tris(Thiophenyl)amine C18H 1~NS3 J.R.Carruthers, K.Prout. D.J.Watkin Cryst.Struct.Commun., 10.1217.1981
bis(Diphenylmethyleneamine) monosulfide CzaHzoNzS M.-T.Averbuch-Pouchot, A.Durif, A.J.Banister, J.A.Durrant, J.Halfpenny J.Chem.Soc.,Dalton Trans., 221. 1982
ALIPHATIC MISCELLANEOUS
5.C Tetraphenylene chloroform clathrate CHCI3, 2C24H18 Main entry is 6120
5.C bis(lsothiocyanato) - tetrakis(4 - methylpyridine) - nickel(ii) bis(methanol) clathrate 2CH40, C28H28N1NiS2 Main entry is 6128
5.1 bis(Yethanol)hydrogen tetrafluoroborate (at -50•c) C2H802 •, BF 4- D.Mootz, M.Steffen Z.Anorg.Allg. Chem., 482,193, 1981
5.C Tetraphenyl - hexa - 2.4 - diyne - 1,6 - diol bis(acetone) clathrate 2C3H80, C30H2202 Main entry is 61.35
5.C hexakis(N - Benzyl - trifluoroacetamidomethyl) benzene bis(dimethylformamide) clathrate 2C3H7 NO, Ca8H54F11N801 Main entry is 61.52
5.C bis(Tri - o - thymotide) 2 - bromobutane clathrate (at 125•K) 0.5C4H8Br. C33H3101 Main entry is 61.37
52 Triethyloxonium hexafluorophosphate (at -5o•c) C8H 1oO•, F eP- M.I.Watkins, W.M.lp, G.A.Olah, R.Bau J.Am. Chem. Soc., 104, 2365, 1982
5.C cis - 4,5 - Diphenylhex - 4 - en - 2 - yne C18H18 Main entry is 19.14
10
Lithium cyclopentenolate tetrahydrofuran solvate (at -90•c) C5H70-, Li+, C4H80 Main entry is 20.1
bis(Anilinium) chloroanilate C8Cl2042-. 2C8H8N+ Main entry is 18.1
Ammonium chloroanilate oxonium monohydrate C8Cl2042-, H4N+, H30+, H20 Main entry is 18.2
bis(Benzo- 15- crown- 5)- potassium picrate CaHzN30,-, C28H40K010+ Main entry is 67.30
Valinomycin potassium picrate m - xylene solvate (at -165•c) C8H2N30,-, C54H80N1018, K+, C8H10 Main entry is 60.49
Lithium 22 - dimethyl - 3 - butenolate tetrahydrofuran solvate (at -7o•c) C8H110-, Li•. C4H80 R.Amstutz, W.B.Schweizer, D.Seebach, J.O.Dunitz Helv. Chim.Acta, 64, 2617, 1981
2 - Diazo - 1,3 - diphenyl - propane - 1,3 - dione Dibenzoyldiazomethane C15H10N202 Main entry is 9.4
NITRILES (ALIPHATIC AND AROMA TIC)
7.1
72
7.C
7.C
7.C
7.C
7.3
7.4
7.5
7.C
7.C
7.C
7.6
7.C
7.7
Acetonitrile (high temperature a form, at 215°K) C2H3N M.J.Barrow Acta Crystallogr .. Sect.B. 37,2239,1981
Ualononitrile (, phase, at 273°K) C3H2N2 M.T.Dove. A.I.M.Rae Faraday Disc. Chem. Soc., 69, 98, 1980
3,5 - Dibromo - 4 - hydroxybenzonitrile Bromoxynil C7H3Br2NO Main entry is 17.5
m - Cyanoaniline C7H8N2.Main entry is 16.10
p - Cyanoaniline C7H8N2 Main entry is 16.11
2 - Cyanomethyl - 2 - methyl - 3 - oxobu tanam ide 3 - Aminocarbonyl - 3 - methyl - 4 - oxo - pentanoic nitrile C7H10N20 2 Main entry is 124
2,3,5,6 - Tetrachloro - 1,4 - dicyanobenzene c,Cl4N2 D.Britton Cryst.Struct.Commun., 10,1501,1981
2,4,5,6 - Tetrachloro - 1,3 - dicyanobenzene c,Cl4N2
D.Britton Cryst.Struct.Commun., 10,1501.1981
D.Britton Cry st. Struct. Commun.. 10. 1509, 1981
Pentadeutero - pyridinium - 1 - dicyanomethylide (spherical atom refinement, at l18°K) C8D~N3 Main entry is 33.26
Pentadeutero - pyridinium - 1 - dicyanomethylide (at U8°K, refinement using aspherical atom formalism) C8D~N3 Main entry is 33.27
Pentadeutero - pyridinium - 1 - dicyanomethylide (at l18°K, refinement using spherical harmonic expansion) C8D~N 3 Main entry is 33.28
Tetrafluoro - terephthalonitrile (at 98°K) C8F4N2 J.D.Dunitz. W.B.Schweizer. P.Seiler Acta Crystallogr .. Sect.A. 37. C129, 1981
Chloro - bis(2.2' - bipyridyl) - copper(ii) 1.1.2.3,3 - pentacyanopropenide C8N~-. C20H16CICuN4+ Main entry is 83.125
2,4,6 - Trichloro - 1,3,5 - tricyanobenzene C9Cl 3N3
D.Britton Cry st. Struct. Commun .. 10, 1061. 1981
11
7.C N - Uethylviologenium 2 - dicyanomethylene - 1,1,3,3 - tetracyanopropanedi - ide C10N82-. C12H14N22+ Main entry is 60.29
7.C (2E,4E) - 2 - Cyano - 4 - methyl - 5 - thiocyanate - 2.4 - hexadienoic acid ethyl ester C11H12N202S Main entry is 1.32
7.8
7.C
7.C
7.C
7.C
7.9
7.C
7.10
7.C
7.C
7.C
7.C
7.C
7.C
7.C
5,10 - Dihydro - 5,10 - dimethylphenazine 2,3,5,6 - tetrafluoro - 7,7,8,8 - tetracyanoquinodimethane C12F4N4-. C14H14N2+ Main entry is 60.36
bis(Tetramethyltetraselenafulvalene) 2,5 - dibromo - 7,7,8,8 - tetracyanoquinodimethane ci2H.Br2N4-· CloHI2Se4. CIOHI2Se4+ Main entry is 60.22
Uonofluoro - 7,7,8,8 - tetracyanoquinodimethane C12H3FN 4
F.M.Wiygul, T.J.Emge, J.P.Ferraris, T.J.Kistenmacher Mol. Cryst.Liq. Cryst .. 71, 303, 1981
bis(Ethanedial dioximato) - nickel(ii) 7,7,8,8 - tetracyanoquinodimethane C,2 H4 N4 , C4 H8N4 Ni04 Main entry is 60.2
4,4',5,5' - Tetramethyl - .1(2.2') - bis - 1,3 - diselenole 7,7,8.8 - tetracyanoquinodimethane (red semiconducting form) c,.H4N4. CIOHI2Se4 Main entry is 60.19
Dibenzothiophene 7,7,8,8- tetracyanoquinodimethane C12H4N4, C12H8S Main entry is 60.28
3,4.3',4' - Octamethylene - 2.2',5,5' - tetrathiafulvalene 7,7.8.8- tetracyanoquinodimethane C12H4N4. C14H18S4 Main entry is 60.37
(5.10.15.20 - Tetramethylporphyrinato) - nickel 7,7,8.8 - tetracyanoquinodimethane (at l16°K) C12H4N4. C24H20N4Ni Main entry is 60.48
N - (n - Propyl) - pyridinium bis(7,7,8,8 - tetracyanoq uinodimethane) C,2H4N4 -. C8H12N•. C12H4N4 Main entry is 60.9
4 - Oxo - 6 - iodoquinolinium 7,7,8,8 - tetracyanoquinodimethane C12H4N4 -. C9H7 INO+ Main entry is 60.13
7.C Dibenzotetrathiafulvalene 7,7,8,8- tetracyanoq uinodimethane C1zH 4N4 -. C14H8S4 + Main entry is 60.33
7.C Dibenzotetrathiafulvalene 7,7,8,8- tetracyanoquinodimethane CIZH4N4 -. c14H8S4 + Main entry is 60.34
7.C 5,10,- Dihydro- 5,10- diethylphenazinium 7,7,8,8- tetracyanoquinodimethane C1zH4N4-. C18H18Nz+ Main entry is 60.42
7.C 1.1'- Bicobaltocene tris(7,7,8,8- tetracyanoquinodimethane) 2C12H4N4-. C20H18Co22+, C12H4N4 Main entry is 60.44
7.C tetrakis(N - (n - Butyl) - pyridinium) heptakis(7,7,8.8 - tetracyanoquinodimethane) 4C1zH4N4 -. 4CeH 14N+, 3C12H4N4 Main entry is 60.14
7.C 2 - Benzoyl - 3 - dimethylamino - 3 - methylthio - 2 - propenenitrile C13H14N20S Main entry is 3.44
7.C Ethyl - 1,2,2 - tricyano - 3 - (4 - nitrophenyl) - cyclopropane - 1 - carboxylate C15H10N404 Main entry is 20.16
7.C (4 - N,N - Dimethylaminophenyl) - (1,3 - dioxo - 2 - indanylidene) - acetonitrile C18H14N202 Main entry is 27.22
7.C 7- (p- N,N - Dimethylaminophenyl)- 7,8,8- tricyanoq uinodimethane C18H14N4 Main entry is 16.31
7.C 4' - Cyanophenyl - 4 - n - pentoxybenzoate C19H18N03 Main entry is 13.35
7.C 2 - sec - Butoxycarbonyl - 2' - n - propoxycarbonyl - 2' - cyano - p - divinylbenzene (/1 form) CzoHz3N04 Main entry is 1.37
7.C (2)(2,5)(7,7,8,8 - Tetracyanoquinodimethano)(2) paracyclophane benzene solvate Cz2H14N4. C8 H8 Main entry is 31.56
7.C 7 - (p - N,N - bis(n - Propyl)aminophenyl) - 7,8,8 - tricyanoquinodimethane Cz3Hz2N4 Main entry is 16.35
7.C 14,17 - Dimethoxy - (2)(2,5)(7,7,8,8 - tetracyanoquinodimethano)(2)paracyclophane Cz4H18N40z Main entry is 31.61
UREA COMPOUNDS (ALIPHATIC AND AROMA TIC)
8.C
8.C
8.1
8.C
82
8.C
8.3
8.4
8.5
8.6
8.7
8.8
8.9
12
Aqua - triacetato - samarium(iii) thiourea nCH4N2S. (C8H1107Sm)n Main entry is 81.29
Diaqua - triacetato - lanthanum thiourea nCH4N2S. (C8 H13La08)n Main entry is 81.30
2 - Nitroguanidine (neutron study) CH 4N40 2 C.S.Choi Acta Crystallogr.,Sect.B. 37,1955. 1981 See also R1 : 9
Benzo - 27 - crown - 9 guanidinium perchlorate clathrate (at 156°K) CH 8N3+, C22H3809• Cl04- Main entry is 61.18
bis(Guanidine) bis(guanidinium) bis(dicarbonato - peroxo - uranylate) dihydrate 2CH8N3+, 2CH5N3. C20 10U2-. 2H20 Yu.N.Mikhailov, G.M.Lobanova. R.N.Shchelokov Zh.Neorg.Khim .. 26,718. 1981
Guanidinium phenylphosphonate dihydrate 2CH8N3+, C8H503P2-. 2H20 Main entry is 64.12
bis(Guanidinium) sulfate - trifluoro - antimony(iii) 2CH8N3+, F30 4SSb2- R.L.Davidovich. L.A.Zemnukhova. A.A.Udovenko. V.N.Butenko Koord.Khim .. 8, 167. 1982
Guanidinium phosphonate acetone solvate 2CH8N3+, H03P2-. C3H80 T.J.R.Weakley ./.Chem.Soc.Pak .. 2,145,1980
bis(Guanidinium) orthomolybdate 2CH8N3+, Mo042- T.Timmins. T.J.R.Weakley Cryst.Struct.Commun .. 10,1037.1981
tetrakis(Guanidinium) bis((lo'z - oxo) - dihydroxy - dioxo - tellurium) 4CH8N3+. H40 10Te24- J.Fuchs. R.Loederich. J.Pickardt Z.Naturforsch .. Teil B. 37,587. 1982
Semicarbazide hydrogen nitrate CH8N30+, N03- Z.Galdecki. M.L.Giowka Ferroelectrics. 34, 157. 1981 See also R1 : 9
Potassium cyanoguanidine Potassium dicyandiamide C2H3N4 -. K+ M.J.Begley. P.Hubberstey J.Chem.Res .. 118,1415,1982
N - Methyl - N - nitrosourea C2H5N302 K.Prout. J.Fail. S.Hernandez-Cassou. F.M.Miao Acta Crystallogr .. Sect.B. 38,2176. 1982
8.10 a,a' - Dithio - bis(formamidinium) dinitrate (at uo•K) CzH8N4SzZ+, 2N03- G.B.Jameson, E.Blazso, N.Seferiadis, H.R.Oswald Acta Crystallogr.,Sect.B. 38,2272,1982
8.C
bis(Diphenyl - iodothiocarbazone) bis(pentaiodide) di- iodide bis(Dithizone) hepta(di - iodine) 2C13H121N4S+, 21,-.lz Main entry is 60.30
8.C N - (n - Butyl) - N' - ((p - chlorophenoxy)acetyl) - 8.11 bis{bis(Urea)hydrogen) hexafluoro -silicon
2C2H9 N402+, FaSiZ- C.Tse-Ying, S.Mei-Cheng, H.Hsiao-Chieh, T.Yu-Chi, T.Yu-Chin 8.18
8.12
8.13
8.C
8.14
(S) - t - Butylthiouronium diperchlorate 1,4,7,10,13.16 - hexaoxacyclo - octadecane 2CsH 13N2S+, C12H2408 • 2CI04- Main entry is 38.41
N - (p - Chlorophenyl) - N' - hydroxy - urea C7H7CIN202
820
Ya.M.Nesterova, M.A.Porai-Koshits, A.G.Moev 8.C Zh.Strukt.Khim., 22(5),111,1981
8.C threo - o - Bromo - mandelamidinium mandelate C8H10BrN20+, C8H703- Main entry is 2.25 8.C
8.C erythro - o - Bromo - mandelamidinium mandelate C8H10BrN20+, C8H703- Main entry is 2.26 8.C
8.C N - (2- ((4 - Bromoimidazol- 5- yl)methylthio) ethyl) - N' - methylthiourea C8 H13BrN4Sz Main entry is 32.10 8.C
8.C N - (3 - (lmidazol - 4 - yl)propyl) - N' - methylthiourea C8H14N4S Main entry is 32.11
8.15 N - (p - Chlorophenyl) - N' - methoxy - N' - methyl - urea C9H11CIN202 Ya.M.Nesterova, M.A.Porai-Koshits, A.G.Moev Zh.Strukt.Khim., 22(5),111,1981
8.16 4 - Chloro- N- ((propylamino)- carbonyl)­ benzenesulfonamide Chloropropamide C10H13CIN203S C.H.Koo. S.l.Cho, Y.H.Yeon Arch.Pharm.Res., 3, 37,1980
8.C N - (5 - (lmidazol - 5 - yl) - pentyl) - N' - methylthiourea C10H18N4S Main entry is 32.20
8.17 1 - n - Butyl - 3 - p - toluenesulfonylurea (antidiabetic drug, orthorhombic form A) Tolbutamide CtzHtaN203S J.D.Donaldson, J.R.Leary, S.D.Ross, M.J.K.Thomas, C.H.Smith Acta Crystallogr.,Sect B. 37,2245, 1981 See also R1 : 11
13
N - Uethoxycarbonyl - N - phenyl - N' - (isopropylaminosulfonyl) - S - methylisothiourea C13HtsN304S2 R.-D.Acker, G.Hamprecht, E.Hadicke Angew.Chem . .Int.Ed.Engl., 20,884,1981
N - Phenyl - N' - ~N - methoxycarbonyl - N - isopropylaminosulfonyl) - S - methylisothiourea (at -6o•c) C13HtsN304S2 R.-D.Acker, G.Hamprecht, E.Hadicke Angew.Chem . .Int.Ed.Engl .. 20,884, 1981
1 - (4 - Chlorophenyl) - 3 - (2,6 - difluorobenzoyl) - urea Difluorbenzuron Ct•HsCIF 2N202 W.C.Riley, R.A.Jacobson Cryst.Struct.Commun., 10,1341,1981
(N - Phenylthiosemicarbazono) - methyl - (N,N - diethylamide) C14H20N40S Main entry is 1.35
p - Aminobenzaldehyde - cyclohexylthiosemicarbazone C14H20N4S Main entry is 21.11
1- Ethyl- 3- ((4- cyclo- octyl- pyrid - 3- yl) - sulfonyl) - urea hydrogen nitrate C16H27N403S+, N03- Main entry is 33.66
N - (2- (2- Methyl- 3- (p- nitrobenzyl)- oxy - 1 - isothioureido) - ethyl) - p - toluenesulfonamide C18H22N405S2 Main entry is 17.42
NITROGEN-NITROGEN COMPOUNDS (ALIPHATIC AND AROMA TIC)
9.C 2 - Nitroguanidine (neutron study) CH 4 N402 Main entry is 6.1
9.C Semicarbazide hydrogen nitrate CH8N30•, N03 - Main entry is 6.7
9.1 N,N' - Diformohydrazide (neutron study, at 15°K) Hydrazine - 1.2 - dicarboxaldehyde C2H4 N202
G.A.Jeffrey, J.R.Ru ble, R.K.McMullan, D.J.DeFrees, J.A.Pople Acta Crystallogr.,Sect.B. 38,1506, 1962
9.C 2- Nitrimino- imidazolidine C3H8N402 Main entry is 32.3
9.C 2.2' - Dinitroxydiethylnitramine (monoclinic form ii) N - Nitro - bis(2 - nitroxyethyl)amine C4 H8N408 Main entry is 10.2
9.2 p - Bromobenzenediazonium tetrafluoroborate (at 143°K) C8H4BrN2•, BF4 -
K.Sasvari, H.Hess. W.Schwarz Cryst.Struct.Commun., 11,761, 1962
9.C N,N - Di - isopropyl - N' - sulfinylhydrazine C0H14N20S Main entry is 11.6
9.C 1,4,7,10,13,16,19 - Heptaoxacycloeicosane p - methoxybenzenediazonium tetrafluoroborate clathrate (at -150°C) C7H7N20•, C14H2807• BF4 - Main entry is 61.15
9.3 2 - Semicarbazano - N.N - diethyl - propionamide C8H18N40S, H20 O.N.Rebrova, V.N.Byushkin, L.A.Nezhel'skaya, N.I.Belichuk Dokl.Akad.Nauk SSSR, 260,633, 1961
9.C (1E.2Z) - 2,3 - Dimethyl - 1 - phthalimido - azimine C10H10N402 Main entry is 35.10
9.C (1Z.2E) - 2.3 - Dimethyl - 1 - phthalimido - azimine C10H10N402 Main entry is 35.11
9.C Thiosemicarbazono - (methyl) - anilide hemihydrate C10H12N40S, 0.5H 20 Main entry is 1.30
9.C Ethyl pyruvate - 2 - methyl - 4 - chloro - phenylhydrazone C12H 1 ~ClN 202 Main entry is 16.17
9.C 4 - Nitrophenyl - hydrazono - benzoyl chloride C13H10ClN 302 Main entry is 16.16
9.C N - Nitroso - N - benzyl - p - chloroaniline C13H11CIN 20 Main entry is 16.19
9.C
9.C
9.4
9.C
9.C
9.C
9.C
9.C
9.C
14
1 - (2 - (Methylphenylhydrazono) - ethylidene) - piperidinium iodide C14H20N3•, I- Main entry is 33.61
2 - Diazo - 1,3 - diphenyl - propane - 1,3 - dione Dibenzoyldiazomethane C1~H 10N20z M.Cowie, M.D.Gauthier Acta Crystallogr.,Sect.B. 37,1662, 1961 See also R1 : 6
Diethyl - 2 - (p - nitrophenylhydrazono) - 3 - oxopentanedioate (monoclinic form) C1~H 17N 307 Main entry is 16.24
Diethyl - 2 - (p - nitrophenylhydrazono) - 3 - oxopentanedioate (orthorhombic form) C1~H 17N 307 Main entry is 16.25
Diethyl - 2 - (o - methylphenylhydrazono) - 3 - oxopentanedioate C18H20N20~ Main entry is 16.27
2- Bromo- 4- cyano- 4'- N,N­ diethylaminoazobenzene C17H17BrN4 Main entry is 16.26
1,5 - bis(2,6 - Dimethylphenyl) - 3 - nitroformazan C17H 19N~02 Main entry is 16.29
Azobenzene - N - (benzothiazol - 2 - yl) - imide 3 - (2 - Benzothiazolyl) - 1.2 - diphenyltriazenium hydroxide (inner salt) C19H14N4S Main entry is 41.65
NITROGEN-OXYGEN COMPOUNDS (ALIPHATIC AND AROMA TIC)
10.1
10.2
10.3
10.4
10.C
10.C
10.C
10.C
Glyoxime (neutron study, at g•K) Ethanedial dioxime C2H4 N202 G.A.Jeffrey, J.R.Ruble, J.A.Pople Acta Crystallogr.,Sect.B, 38,1975, 1982
2.2' - Dinitroxydiethylnitramine (monoclinic form ii) N - Nitro - bis(2 - nitroxyethyl)amine C4H1N401 A.Wilkins, R.W.H.Small Acta Crystallogr .. Sect.B, 38,488, 1982 See also R1 : 9
2,3 - Dimethyl - 2,3 - dinitrobutane (at 95°K) C8H12N204 Y.Kai, P.Knochel, S.Kwiatkowski. J.D.Dunitz, J.F.M.Oth, D.Seebach, H.-O.Kalinowski Helv. Chim.Acta, 65, 137, 1982
2,3 - Dimethyl - 2,3 - dinitrobutane C8H12N20 4
Y.Kai, P.Knochel. S.Kwiatkowski, J.D.Dunitz, J.F.M.Oth, D.Seebach, H.-O.Kalinowski Helv.Chim.Acta, 65,137,1982
N,N' - Ethylenediamine - bis(O,O' - benzohydroxamato) - zinc(ii) benzohydroxamic acid monohydrate C,H,N02, C18H20N40 4Zn, H20 Main entry is 76.78
N.N - Dimethyl - 4 - chlorobenzamide - oxime C9H11ClN20 Main entry is 13.19
1 - Oximino - benzobicyclo(3.1.1)heptene C11H11NO Main entry is 31.8
(E).(E) - 3 - (p - Tolylimino) - butan - 2 - one - oxime C11H14N20 Main entry is 16.14
10.C (E),(Z) - 4 - (p - Tolylimino) - pentane - 2,3 - dione - 3 - oxime C12H14N202 Main entry is 16.16
10.C 1 - Benzyl - 2 - ((hydroxyimino) - methyl) - pyridinium bromide C,3H13N20+, Br- Main entry is 33.54
10.C 1 - Benzyl - 2 - ((hydroxyimino) - methyl) - pyridinium methylsulfonate C13H 13N20+, CH 303S- Main entry is 33.55
SULFUR AND SELENIUM COMPOUNDS
Ammonium methanethiosulfonate CH 302S2-. H4 N+ G.K.Cooper, D.P.Bloxham, M.Webster J.Chem.Res., 104,1166,1982
Sodium methanesulfonate CH303S-. Na+ C.H.Wei, B.E.Hingerty Acta Crystallogr.,Sect.B. 37,1992, 1981
Potassium methyl - oxoxanthate C2H302S-, K+ Main entry is 2.12
Rubidium methyl- oxoxanthate C2H302S-. Rb+ Main entry is 2.13
Vanadyl di - iodide pentakis(dimethylsulfoxide) 5C2H80S, QV2+, 21- H.J.Seifert, J.Uebach Z.Anorg.Allg. Chern .. 479,32. 1981
2 - Amino - ethyl hydrogen sulfate C2H7 N04S Main entry is 3.4
Sodium N,N - dimethyldithiocarbamate dihydrate C3H8NS2-. Na+, 2H20 I.Ymen Acta Crystallogr.,Sect.A, 37, C223, 1981
Dithiomalonodiamide C3H8N2S2 Main entry is 1.7
Tetra - aqua - lithium N - tetramethylene - dithiocarbamate C5H8NS2-. H8Li04+ Main entry is 32.4
Diethylammonium 2,5 - dihydroxybenzene - 1.4 - disulfonate C8H408S22-. 2C4H12N+ Main entry is 17.1
3,3' - Thiodipropionic acid C8H100 4S Main entry is 1.22
3,3' - Dithiodipropionic acid C8H100 4S2 Main entry is 1.23
N.N - Di - isopropyl - N' - sulfinylhydrazine C8H14N20S G.Cerioni. P.Piras, G.Marongiu, D.Macciantelli, L.Lunazzi J.Chem.Soc.,Perkin Trans.2. 1449,1981 See also R1 : 9
tris(Dimethylamino) - sulfonium fluoro - bis(hexafluorocumyl - oxy - C,O) - silicon (at -1oo•c) C8H18N3S+, C18H8F1302Si- Main entry is 63.35
2,6 - Dimethylpiperidinium dithiosalicylate (at 200"K) C7H50S2-. C7 H16N+ Main entry is 33.24
SULFUR AND SELENIUM COMPOUNDS
2,6 - Dimethylpiperidinium dithiosalicylate (neutron study, at 20"K) C7 H50S2-. C7 H16N+ Main entry is 3325
(S) - Methyl - (3Z) - 3 - methoxy - 4 - (methylthio) - 2 - oxo - but - 3 - ene - thioate C7 H1003S2 Main entry is 1.25
p - (Aminomethyl) - benzenesulfonamide hydrochloride (sulfa drug) 4 - Homosulfanilamide hydrochloride C7 H11 N202S+, Cl- Main entry is 3.30
Mercaptoethylamine - triacetic acid monohydrate C8H13N06S. H20 Main entry is 1.27
Tetraphenylarsonium 1.2.3.4.5- pentakis(methylmercapto) - cyclopentadienide C10H15S5-. C24H20As+ Main entry is 20.11
(2E,4E) - 2 - Cyano - 4 - methyl - 5 - thiocyanato - 2,4 - hexadienoic acid ethyl ester C11H12N20 2S Main entry is 1.32
N' - (6 - Methoxy - 3 - pyridazinyl) - sulfanilamide Sulfamethoxypyridazine C11H12N403S Main entry is 33.41
2,4 - Dinitrophenyl - phenylsulfide C12H8N204S Main entry is 15.4
Dianiline - sulfone hydrate C12H12N202S, 0.33H20 Main entry is 16.15
(E) - 1 - Chloro - 1 - phenyl - 2 - (methylsulfonyl) - 3 - methyl - but - 1 - ene C12H15Cl02S V.Lucchini. G.Modena, G.Valle, G.Capozzi J.Org.Chem., 46,4720,1981
N - ((Benzyloxy) - carbonyl) - S - methylcysteinol - S - oxide monohydrate C12H1,NO.s. H20 H.C.J.Ottenheijm, R.M.J.Liskamp. P.Helquist, J.W.Lauher, M.S.Shekhani J.Am.Chem.Soc., 103,1720,1981
1 - n - Butyl - 3 - p - toluenesulfonylurea (antidiabetic drug, orthorhombic form A) Tolbutamide C12H 18N203S Main entry is 8.17
Diphenylsulfonio - dinitromethylide C13H10N20 4S Main entry is 12.1
bis(Diphenyl - iodothiocarbazone) bis(pentaiodide) di- iodide bis(Dithizone) hepta(di - iodine) 2C13H121N 4S+, 215-. 12 Main entry is 60.30
2 - Benzoyl - 3 - dimethylamino - 3 - methylthio - 2 - propenenitrile C13H14N20S Main entry is 3.44
(E) - 1 - Chloro - 1 - phenyl - 2 - (methylsulfonyl) - 3,3 - dimethyl - but - 1 - ene C13H 1,ClOzS V.Lucchini, G.Modena, G.Valle, G.Capozzi J. Org. Chem., 46, 4 720, 1981
11.C tetrakis(N,N - Diethyldithiocarbamato - S.S) - molybdenum(v) tetrachloro- iron(iii) dibenzyl disulfide clathrate C14H14S2, C20H40MoN4S8+, Cl4Fe- Main entry is 61.17
ll.C S - Sulpiride (antipsychotic drug, absolute configuration) C15H23N304S Main entry is 32.40
ll.C rae - Sulpiride (antipsychotic drug) C15H23N304S Main entry is 32.41
11.C bis(6 - Hydroxy - 4.4 - dimethyl - 2 - oxo - 6 - cyclohexenyl) - selenide C16H220 4Se Main entry is 21.16
11.C bis(S - Methyl) - (2Z,4E.6Z) - 2,3,6,7 - tetramethoxy - 4,5 - bis(methylthio) - octa - 2,4,6 - triene - thioate C16H2406S4 Main entry is 1.36
11.10 4,6 - Dihydroxy - 3,4,8 - trimethyl - 2 - oxa - 5 - phenylsulfinyl - nonane C17H280 4 S D.R.Williams, J.G.Phillips, B.A.Barner J.Am.Chem.Soc., 103,7398, 1981
11.11 2,4 - Hexadiynylene bis(p - bromobenzenesulfonate) C 1aH 12Br 20aS2 R.L.Williams, D.J.Ando, D.Bloor, M.Motevalli, M.B.Hursthouse Acta Crystallogr.,Sect.B, 38,2078, 1982
11.C 8,8' - Diquinolyl - disulfide - 5,5' - disulfonic acid trihydrate C18H12N206S4, 3H20 Main entry is 35.40
11.12 1,4 - bis(Phenylthio)- benzene claHI.sz G.D.Andreetti, J.Garbarczyk, M.Krolikowska Cryst.Struct.Commun., 10,789,1981
11.C bis(Tetraphenylphosphonium) tris(phenylsulfonylimino) - sulfite C18H15N306S42-. 2C24H20P+ Main entry is 64.102
ll.C N - (2- (2- Methyl- 3- (p- nitrobenzyl)- oxy- 1 - isothioureido) - ethyl) - p - toluenesulfonamide C18H22N405S2 Main entry is 17.42
11.13 Hexa - 2.4 - diyne - 1.6 - diol bis(p - toluenesulfonate) (at 120"K. neutron study) C20H1aOaS2 J.P.Aime, J.Lefebvre, M.Bertault, M.Scholt, J.O.Williams J.Phys.(Paris), 43,307, 1982
11.14 Hexa - 2.4 - diyne - 1,6 - diol bis(p - toluenesulfonate) (at 221"K. neutron study) C20H1806S2 J.P.Aime. J.Lefebvre, M.Bertault, M.Schott, J.O.Williams J. Phys. (Paris), 43, 307, 1982
11.C 1.2 - Dimethyl - 4 - phenyl - 3 - phenylsulfinyl - butane - 1.4 - diacetate (at -172"C) C22H2605S Main entry is 1.38
11.C 2.2' - Sulfonyl - bis(ethyl - 3 - (1 - hydroxy - 1 - methylethyl) - 5 - t - butyl - benzoate) C32H4608S Main entry is 13.42
11.15 Octadecyl - tetrasulfide 19,20.21.22 - Tetrathiatetracontane C3aH,.s.
16
CARBONIUM IONS, CARBANIONS AND RADICALS
12.C
12.C
12.C
12.C
12.C
12.C
12.C
Thioxanthonium bis(carbomethoxy) - methylide C5H80 4-. C13H8QS+ Main entry is 39.24
9,9- Dideutero- thioxanthenium bis(carboethoxy) - methylide C7H100 4 -. C13H8D2S+ Main entry is 3923
Pentadeutero - pyridinium - 1 - dicyanomethylide (spherical atom refinement, at 118"K) C8D5N3 Main entry is 33.26
Pentadeutero - pyridinium - 1 - dicyanomethylide (at 118"K. refinement using aspherical atom formalism) C8D5N3 Main entry is 33.27
Pentadeutero - pyridinium - 1 - dicyanomethylide (at 118"K, refinement using spherical harmonic expansion) C8D5N3 Main entry is 33.28
Chloro - bis(2.2' - bipyridyl) - copper(ii) 1.1.2,3,3 - pentacyanopropenide C8N5-, C20H18CICuN4+ Main entry is 83.125
N - Methylviologenium 2 - dicyanomethylene - 1.1.3,3 - tetracyanopropanedi - ide C,oNe2-. C1zH 14N22+ Main entry is 60.29
12.C 5,10 - Dihydro - 5,10 - dimethylphenazine 2,3,5,6 - tetrafluoro - 7,7,8,8 - tetracyanoquinodimethane C12F4N4-. C14H14N2+ Main entry is 60.36
12.C bis(Tetramethyltetraselenafulvalene) 2.5 - dibromo - 7,7,8,8 - tetracyanoquinodimethane C,zHzBrzN4-. C10H12Se4, C10H12Se4+ Main entry is 60.22
12.C Dibenzo- 1,4,5,8- tetrathiafulvalenium 2,5- dichloro- 7,7,8,8- tetracyanoquinodimethane C12H2Cl2N4 -. C14H8S4 + Main entry is 60.31
12.C Dibenzo - 1,4,5,8 - tetrathiafulvalenium 2,5 - dichloro - 7,7,8,8 - tetracyanoquinodimethane (at 115"K) C12H2Cl2N4 -. C14H8S4 + Main entry is 60.32
12.C Tetrathiafulvalene 2,5 - difluoro - 7,7,8Ji - tetracyanoquinodimethane C12H2F2N4-. C8H4S4+ Main entry is 60.6
12.C N - (n - Propyl) - pyridinium bis(7,7,8,8 - tetracyanoquinodimethane) C,2H4N4 -. C8H12N•. C12H4N4 Main entry is 60.9
12.C 4 - Oxo - 6 - iodoquinolinium 7,7,8,8 - tetracyanoq uinodimethane C12H4 N4 -. C9H7 1NO• Main entry is 60.13
12.C Dibenzotetrathiafulvalene 7,7,8,8 - tetracyanoq uinodimethane c,2H 4 N4 -. C14H8S4 + Main entry is 60.33
12.C Dibenzotetrathiafulvalene 7,7,8,8 - tetracyanoq uinodimethane C12H4N4 -. C14H8S4 + Main entry is 60.34
12.C 5.10. - Dihydro - 5.10 - diethylphenazinium 7,7,8,8 - tetracyanoquinodimethane C12H4N4-. C18H18N2+ Main entry is 60.42
12.C 1.1' - Bicobaltocene tris(7,7,8,8 - tetracyanoq uinodimethane)
12.C
12.1
12.C
122
12.3
17
tetrakis(N - (n - Butyl) - pyridinium) heptakis(7,7,8,8- tetracyanoquinodimethane) 4C12H4N4 -. 4C9H14N+, 3C12H4N4 Main entry is 60.14
Diphenylsulfonio - dinitromethylide c,3H10N2o.s V.V.Semenov, L.O.Atovmyan, N.J.Golovina, G.A.Mukhina. K.Ya.Burshtein, S.A.Shevelev Jzv.Akad.Nauk SSSR,Ser.Khim., 801.1981 See also R1 : 11
bis(7J' - tris(Methoxycarbonyl) - cyclopentadienyl) - rhodium pentakis(methoxycarbonyl) - cyclopentadiene C,5HI501o-. C22H220 12Rh+ Main entry is 73.106
Disodium diterphenylide terphenyl 1.2 - dimethoxyethane solvate (at 130"K) 2C18H14-. C18H14, 2Na+, 6C4 H1002 J.H.Noordik, H.M.Doesburg, P.A.J.Prick Acta Crystallogr.,Sect.B, 37,1659, 1981 See also R1 : 19
Disodium terphenylide tetrahydrofuran solvate C18H142-. 2Na•. 6C4H80 J.H.Noordik. H.M.Doesburg, P.A.J.Prick Acta Crystallogr.,Sect.B. 37,1659, 1981 See also R1 : 19
BENZOIC ACID DERIVATIVES
Pentadeutero- benzoic acid (neutron powder study, at 130°K) C7HD502
R.Feld, M.S.Lehmann, K.W.Muir, J.C.Speakman Z.Kristallogr., 157,215, 1981
Pentadeutero- benzoic acid (neutron powder study, at 5°K) C,HD502 R.Feld, M.S.Lehmann, K.W.Muir. J.C.Speakman Z. Kristallogr.. 157, 215, 1981
p - Ch1orobenzoic acid C7H5Cl02 M.Colapietro, A.Domenicano Acta Crystallogr .. Sect.B, 38,1953, 1982
p - lodobenzoic acid C7H5102 Y.Takaki, A.Kurisu, K.Nakata Bull.Chem.Soc.Jpn., 55,319,1982
2,6 - Dimethylpiperidinium dithiosalicylate (at 200°K) C7H50S2 -. C7H18N+ Main entry is 33.24
2,6 - Dimethylpiperidinium dithiosalicylate (neutron study, at 20°K) C7H00S2 -, C7H18N+ Main entry is 33.25
Hexa - aqua - cobalt(ii) bis(p - hydroxybenzoate) dihydrate 2C,H003 -. H12Co08
2•. 2H20 A.N.Shnulin. G.N.Nadzhafov, I.R.Amiraslanov, B.T.Usubaliev, Kh.S.Mamedov Koord.Khim .. 7,1409, 1981
3,5 - Diamino - 2,4,6 - trinitrobenzamide C7H8N80 7
H.L.Ammon, S.K.Bhattacharjee Acta Crystallogr.,Sect.B, 38,2083. 1982 See also R1 : 16.15
Benzoic acid (neutron study, at 130°K) C7H80 2 R.Feld, M.S.Lehmann, K.W.Muir, J.C.Speakman Z.Kristallogr .. 157,215,1981
Benzoic acid (neutron study) C7H80 2
R.Feld. M.S.Lehmann. K.W.Muir. J.C.Speakman Z.Kristallogr., 157, 215, 1981
Benzoic acid C7H602
R.Feld, M.S.Lehmann, K.W.Muir, J.C.Speakman Z.Kristallogr., 157,215,1981
Piperazine - 2,5 - dione bis{salicylic acid) 2C7H603, C4 H6 N20 2 Main entry is 33.1
13.10 2,5 - Dihydroxybenzoic acid (disordered form) C7H80 4
M.Haisa. S.Kashino, S.-I.Hanada. K.Tanaka. S.Okazaki, M.Shibagaki Acta Crystallogr.,Sect.B, 38,1480, 1982 See also R1 : 17
13.11 2,5 - Dihydroxybenzoic acid