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International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 9(62), p. o4196-o4199, 2006

DOI: 10.1107/s1600536806033691

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Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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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.