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Hydration in molecular crystals - A Cambridge Structural Database analysis

Authors
Journal
Crystal Growth & Design
1528-7483
Publisher
American Chemical Society
Publication Date

Abstract

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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