Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

Abstract

The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]- 2-hydroxybenzyl}dimethyl-ammonium dichloride dihydrate), C20H 24ClN3O2+·2Cl-·2H 2O, 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 A resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl - ions. © 2006 International Union of Crystallography. All rights reserved.