TY - JOUR
T1 - Amodiaquinium dichloride dihydrate from laboratory powder diffraction data
AU - Llinàs, Antonio
AU - Fabian, Laszlo
AU - Burley, Jonathan C.
AU - van de Streek, Jacco
AU - Goodman, Jonathan M.
PY - 2006
Y1 - 2006
N2 - 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.
AB - 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.
U2 - 10.1107/s1600536806033691
DO - 10.1107/s1600536806033691
M3 - Article
VL - 62
SP - o4196-o4199
JO - Acta Crystallographica Section E
JF - Acta Crystallographica Section E
IS - 9
ER -