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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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
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Depositing User: Rachel Smith
Date Deposited: 15 Mar 2011 14:52
Last Modified: 03 Oct 2022 02:19
DOI: 10.1107/s1600536806033691

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