Table Of ContentMolecular 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
Entries for Classes 1-86 1
Compound Name Index (Organic) OCI
Compound Name Index (Organometallics and Metal Complexes) MCI
Formula Index Fl
Permuted Formula Index PI
Author Index At
Chemical Diagram Index D 1
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 Istituto di Strutturistica Chimica, Universita di Parma,
Via M. D'Azeglio 85, 43100 Parma (Prof. M. Nardelli,
Prof. G. D. Andreetti)
Japan Institute for Protein Research, Osaka University,
5311 Yamada-Kami, Suita, Osaka (Prof. N. Yasuoka)
Netherlands Department of Inorganic Chemistry, University of
Nijmegen, Toernooiveld, Nijmegen (Dr J. H. Noordik)
New Zealand Chemistry Division, Department of Scientific and
Industrial Research, Private Bag, Petone
(Dr G. Gainsford)
Saudi Arabia Data Processing Centre, University of Petroleum and
Minerals, Dhahran (Mr D. R. Matthews)
Scandinavia Department of Structural Chemistry, University of
Goteborg, P.O.B., S-40033, Goteborg 33, Sweden
(Prof. S. Abrahamsson)
South Africa Centre for Scientific and Technical Information, CSIR,
P.O. Box 395, Pretoria 0001 (Dr A. G. Brunt)
Switzerland Laboratorium fiir Organische Chemie, ETH-Zentrum,
CH-8092 Zurich (Prof. J. D. Dunitz)
U.S.A. National Institutes of Health, Bethesda, Maryland 20014
(Dr G. W. A. Milne)
West Germany 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
