Designing hydrogen bonds with temperature-dependent proton disorder: the effect of crystal environment

Parkin, A., Seaton, C. C., Blagden, Nicholas and Wilson, C. C. (2007) Designing hydrogen bonds with temperature-dependent proton disorder: the effect of crystal environment. Crystal Growth and Design, 7 (3). pp. 531-534. ISSN 1528-7483

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Item Type:Article
Item Status:Live Archive

Abstract

Two crystal structures, each containing a 4-dimethylaminobenzoic acid dimer (4-DABA), have been studied by multitemperature X-ray diffraction methods. In form 1 of pure 4-DABA, temperature-ependent proton disorder is observed. In the molecular complex with 3,5-dinitrobenzoic acid, no such disorder is observed in the 4-DABA dimer but is observed in the 3,5-dinitrobenzoic acid dimer. The effect of the crystal environment perturbing the local symmetry of apparently similar molecular structures is discussed in relation to this change in observed proton disorder. © 2007 American Chemical Society.

Keywords:Crystals
Subjects:B Subjects allied to Medicine > B230 Pharmacy
F Physical Sciences > F100 Chemistry
Divisions:College of Science > School of Pharmacy
ID Code:8765
Deposited On:04 Apr 2013 11:06

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