Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

Antonio Llinàs, Laszlo Fabian, Jonathan C. Burley, Jacco van de Streek, Jonathan M. Goodman

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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.
Original languageEnglish
Pages (from-to)o4196-o4199
Number of pages4
JournalActa Crystallographica Section E
Issue number9
Publication statusPublished - 2006

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