Hydrogen-bond motifs in the crystals of hydrophobic amino acids

Fabian, Laszlo, Chisholm, James A., Galek, Peter T. A., Motherwell, W. D. Samuel and Feeder, Neil (2008) Hydrogen-bond motifs in the crystals of hydrophobic amino acids. Acta Crystallographica Section B, 64 (4). pp. 504-514.

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Abstract

A computer program has been developed to survey a set of crystal structures for hydrogen-bond motifs. Possible ring and chain motifs are generated automatically from a user-defined list of interacting molecular fragments and intermolecular interactions. The new program was used to analyse the hydrogen-bond networks in the crystals of 52 zwitterionic a-amino acids. All the possible chain motifs (repeating 1-4 molecules) are frequent, while the frequency of ring motifs (2-6 molecules) ranges from 0 to 85% of the structures. The list of motifs displayed by each structure reveals structural similarities and it can be used to compare polymorphs. The motifs formed in cocrystals of a-amino acids and in crystals of ß- and ?-amino acids are similar to those of a-amino acids.

Item Type: Article
Faculty \ School: Faculty of Science > School of Pharmacy
University of East Anglia > Faculty of Science > Research Groups > Drug Delivery and Pharmaceutical Materials
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Depositing User: Rachel Smith
Date Deposited: 15 Mar 2011 15:13
Last Modified: 25 Jul 2018 05:18
URI: https://ueaeprints.uea.ac.uk/id/eprint/26270
DOI: 10.1107/s0108768108019149

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