Polymorphism and Isomorphism as Tools to Study the Relationship Between Crystal Forces and Molecular Conformation
- 1 January 1979
- journal article
- research article
- Published by Informa UK Limited in Molecular Crystals and Liquid Crystals
- Vol. 50 (1), 223-233
- https://doi.org/10.1080/15421407908084430
Abstract
Polymorphism and isomorphism in molecular crystals are due to subtle energy differences and similarities in crystal structures. A compound may crystallize in more than one crystal structure, with different conformations, a phenomenon known as conformation polymorphism. In other cases chemically similar compounds may crystallize with nearly identical (isomorphic) structures. The investigation of polymorphism and isomorphism by structural and computational techniques leads to an understanding of the phenomena themselves and to the development of the techniques for studying them. Examples, citing recent results on benzylideneaniline systems, are given.Keywords
This publication has 14 references indexed in Scilit:
- Conformational polymorphism. 2. Crystal energetics by computational substitution. Further evidence for the sensitivity of the methodJournal of the American Chemical Society, 1978
- Conformational polymorphism. The influence of crystal structure on molecular conformationJournal of the American Chemical Society, 1978
- Molecular conformation and electronic structure. V. The crystal and molecular structure of N-(p-methylbenzylidine)-p-methylaniline (form II)Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 1977
- Experimental and theoretical studies of the barrier to rotation about the N-C.alpha. and C.alpha.-C' bonds (.vphi. and .psi.) in amides and peptidesJournal of the American Chemical Society, 1976
- Molecular conformation and electronic structure. II: Crystal and molecular structure ofN-(p-bromobenzylidene)-p-bromoanilineJournal of Chemical Crystallography, 1975
- Energy functions for peptides and proteins. II. Amide hydrogen bond and calculation of amide crystal propertiesJournal of the American Chemical Society, 1974
- Energy functions for peptides and proteins. I. Derivation of a consistent force field including the hydrogen bond from amide crystalsJournal of the American Chemical Society, 1974
- Coulombic interactions in crystalline hydrocarbonsActa Crystallographica Section A, 1974
- The crystal structure ofp-azotolueneActa Crystallographica, 1966
- The Crystal and Molecular Structure of trans-p,p'-Dibromoazobenzene.Acta Chemica Scandinavica, 1966