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Amodiaquinium dichloride dihydrate from laboratory powder diffraction data

✍ Scribed by Llinàs, Antonio ;Fábián, László ;Burley, Jonathan C. ;Streek, Jacco van de ;Goodman, Jonathan M.

Publisher
International Union of Crystallography
Year
2006
Tongue
English
Weight
287 KB
Volume
62
Category
Article
ISSN
1600-5368

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✦ Synopsis

The title compound (systematic name: {5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate), C 20 H 24 ClN 3 O 2+ Á2Cl À -Á2H 2 O, has one amodiaquinium dication, two Cl À 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 R wp of 0.047 to 1.79 A ˚resolution. A three-dimensional network of hydrogen bonding links the amodiaquinium cations via water molecules and Cl À ions.

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