Structural Aspects of Intermolecular Interactions
作者:
JennyP. Glusker,
期刊:
Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals
(Taylor Available online 1992)
卷期:
Volume 211,
issue 1
页码: 75-88
ISSN:1058-725X
年代: 1992
DOI:10.1080/10587259208025807
出版商: Taylor & Francis Group
关键词: intermolecular interactions;hydrogen bonding;metal ions;carboxylates;metal binding;fluorine
数据来源: Taylor
摘要:
The surroundings of functional groups in molecules within a crystal can be analyzed from data in crystallographic databases. A method is described here for preparing contoured maps of the probabilities of interactions of functional groups in various directions. The results of such analyses can provide probability plots of orientational preferences of binding which can be used for model building involving the interaction of two different molecular species. Examples chosen for description here include hydrogen bonding to oxygen-containing functional groups, the surrounding of C-F bonds and the manner by which carboxyl groups bind metal ions.
点击下载:
PDF (566KB)
返 回