Hydration in Molecular CrystalsA Cambridge Structural Database Analysis

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 ang...

Full description

Saved in:
Bibliographic Details
Published inCrystal growth & design Vol. 3; no. 5; pp. 663 - 673
Main Authors Gillon, Amy L, Feeder, Neil, Davey, Roger J, Storey, Richard
Format Journal Article
LanguageEnglish
Published Washington,DC American Chemical Society 01.09.2003
Subjects
Condensed matter: structure, mechanical and thermal properties
Crystallographic databases
Exact sciences and technology
Physics
Structure of solids and liquids; crystallography
Hydration
Hydrogen bonds
Bond angle
Database
Molecular crystals
Experimental study
Crystallography
Hydrates
Online AccessGet full text

Cover

More Information
Summary: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.
ISSN:1528-7483
1528-7505
DOI:10.1021/cg034088e