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Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data

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Leech, C.K., Fabbiani, F.P.A., Shankland, K. ORCID: https://orcid.org/0000-0001-6566-0155, David, W.I.F. and Ibberson, R.M. (2008) Accurate molecular structures of chlorothiazide and hydrochlorothiazide by joint refinement against powder neutron and X-ray diffraction data. Acta Crystallographica Section B, 64 (1). pp. 101-107. ISSN 0108-7681

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To link to this item DOI: 10.1107/S010876810705687X

Abstract/Summary

The compounds chlorothiazide and hydrochlorothiazide (crystalline form II) have been studied in their fully hydrogenous forms by powder neutron diffraction on the GEM diffractometer. The results of joint Rietveld refinement of the structures against multi-bank neutron and single-bank X-ray powder data are reported and show that accurate and precise structural information can be obtained from polycrystalline molecular organic materials by this route.

Item Type:Article
Refereed:Yes
Divisions:Life Sciences > School of Chemistry, Food and Pharmacy > School of Pharmacy
ID Code:13703
Uncontrolled Keywords:CRYSTAL-STRUCTURE, SINGLE-CRYSTAL
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