Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach
Arakcheeva, Alla; Pattison, Philip; Bauer-Brandl, Annette; Birkedal, Henrik; Chapuis, Gervais
2013

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Abstract

An efficient method for modelling a polytypic family is presented with the example of cimetidine in the form C polymorph. The method exploits the (3 + 1)-dimensional superspace model, which is a powerful tool for the description, prediction and understanding of polytype modifications in small-molecule crystallography, as illustrated with this pharmaceutical example.

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Title Cimetidine, C10H16N6S, form C: crystal structure and modelling of polytypes using the superspace approach
Author(s) Arakcheeva, Alla ; Pattison, Philip ; Bauer-Brandl, Annette ; Birkedal, Henrik ; Chapuis, Gervais
Published in Journal of Applied Crystallography
Pagination 9
Volume 46
Issue 1
Pages 99-107
Date 2013
Publisher Hoboken, Wiley-Blackwell
ISSN 1600-5767
DOI https://doi.org/10.1107/S0021889812048133
Other identifier(s) View record in Web of Science
Laboratories LCR
Record Appears in Scientific production and competences > SB - School of Basic Sciences > IPHYS - Institute of Physics > LCR - Laboratory of Cristallography
Work produced at EPFL
Journal Articles
Published
Record creation date 2013-01-18

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