Bürgi H.-B., Dunitz J.D. Structure Correlation. Volume 1

VCH Publiihhers, Inc., New York, USA,1994. — 921 p. — ISBN: 3527290427This book leaves the conventional view of chemical structures far behind: it demonstrates how a wealth of valuable, but hitherto unused information can be extracted from available structural data. For example, a single structure determination does not reveal much about a reaction pathway, but a sufficiently large number of comparable structures does. Finding the 'right' question is as important as is the intelligent use of crystallographic databases.
Contributions by F.H. Allen, T.L. Blundell, I.D. Brown, H.B. Bürgi, J.D. Dunitz, L. Leiserowitz and others, authoritatively discuss the structure correlation method as well as illustrative results in detail, covering such apparently unrelated subjects as * Bond strength relations in soldis
* Crystal structure prediction
* Reaction pathways of organic molecules
* Ligand/receptor interactions and enzyme mechanisms
This book will be useful to the academic and industrial reader alike. It offers both fundamental aspects and diverse applications of what will surely become a powerful branch of structural chemistry.Basics
Molecular Structure and Coordinate Systems
Symmetry Aspects of Structure Correlation
Crystallographic Databases: Search and Retrieval of Information from the Cambridge Structural Database
Statistical and Numerical Methods of Data Analysis
Structure Correlation. the Chemical Point of View
Molecular Structure and Reactivity
Organic Addition and Elimination Reactions; Transformation Paths of Carbonyl Derivatives
Reaction Paths for Nucleophilic Substitution (*) Reactions
Ligand Rearrangement and Substitution Reactions of Transition Metal Complexes
Conformational Analysis
Crystal Packing
Bond-Length. Bond-Valence Relationships in Inorganic Solids
The Role of Hydrogen Bonding in Molecular Assemblies
Molecular Packing and Correlations between Molecular and Crystal Properties
Proteins and Nucleic Acids
Structure Correlation and Ligand/Receptor Interactions
Steroid Molecular Structure. Protein Interaction and Biological Function
Structural Patterns in Globular Proteins
Structural Correlations in Families of Homologous Proteins
On the Correlation of Protein Structure with Local Sequence Patterns
Structural Patterns in Nucleic Acids
Appendix: Typical Interatomic Distances in Organic Compounds and Organometallic Compounds and Coordination Complexes of the d- and f-block metals