Hydration in molecular crystals - A Cambridge Structural Database analysis

被引：161

作者：

Gillon, AL

Feeder, N

Davey, RJ

Storey, R

机构：

[1] Univ Manchester, Dept Chem Engn, Manchester M60 1QD, Lancs, England

[2] Pfizer Global R&D, Pharmaceut R&D, Sandwich CT13 9NJ, Kent, England

来源：

CRYSTAL GROWTH & DESIGN | 2003年 / 3卷 / 05期

关键词：

D O I：

10.1021/cg034088e

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The Cambridge Structural Database has been used to investigate the detailed environment of water molecules, hydrogen bonded to oxygen and nitrogen atoms, within molecular crystal hydrates. Eight coordination states of water have been investigated for 3315 structures, and hydrogen bond length and angle data were obtained and analyzed. The two most common environments are those in which water forms either three or four hydrogen bonds to neighboring molecules.

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页码：663 / 673

页数：11

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