Hydration in molecular crystals - A Cambridge Structural Database analysis

Amy L. Gillon; Neil Feeder; Roger J. Davey; Richard Storey

doi:10.1021/cg034088e

Hydration in molecular crystals - A Cambridge Structural Database analysis

Amy L. Gillon, Neil Feeder, Roger J. Davey, Richard Storey

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	663-673
Number of pages	10
Journal	Crystal Growth and Design
Volume	3
Issue number	5
DOIs	https://doi.org/10.1021/cg034088e
Publication status	Published - Sept 2003

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title = "Hydration in molecular crystals - A Cambridge Structural Database analysis",

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.",

author = "Gillon, {Amy L.} and Neil Feeder and Davey, {Roger J.} and Richard Storey",

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year = "2003",

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AU - Gillon, Amy L.

AU - Feeder, Neil

AU - Davey, Roger J.

AU - Storey, Richard

N1 - Times Cited: 56

PY - 2003/9

Y1 - 2003/9

N2 - 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.

AB - 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.

U2 - 10.1021/cg034088e

DO - 10.1021/cg034088e

M3 - Article

SN - 1528-7483

VL - 3

SP - 663

EP - 673

JO - Crystal Growth and Design

JF - Crystal Growth and Design

IS - 5

ER -

Hydration in molecular crystals - A Cambridge Structural Database analysis

Abstract

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