Hydration in molecular crystals - A Cambridge Structural Database analysis

Research output: Contribution to journalArticle

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.

Bibliographical metadata

Original languageEnglish
Pages (from-to)663-673
Number of pages10
JournalCrystal Growth and Design
Volume3
Issue number5
DOIs
Publication statusPublished - Sep 2003