Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

Llinàs, Antonio, Fabian, Laszlo, Burley, Jonathan C., Streek, Jacco van de and Goodman, Jonathan M. (2006) Amodiaquinium dichloride dihydrate from laboratory powder diffraction data. Acta Crystallographica Section E, 62 (9). o4196-o4199.

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Abstract

The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C20H24ClN3O2+·2Cl-·2H2O, has one amodiaquinium dication, two Cl- anions and two water molecules in the asymmetric unit. The crystal structure was solved by simulated annealing from laboratory X-ray powder diffraction data, with data collected at room temperature. Rietveld refinement of this model led to a final Rwp of 0.047 to 1.79 Å resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl- ions.

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 14:52
Last Modified: 25 Jul 2018 06:13
URI: https://ueaeprints.uea.ac.uk/id/eprint/26277
DOI: 10.1107/s1600536806033691

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