Information card for entry 2210149

Structure parameters

• Common name: Amodiaquinium dihydrochloride dihydrate
• Chemical name: 5-[(7-chloroquinolinium-4-yl)amino]-2-hydroxybenzyl}dimethylammonium dichloride dihydrate
• Formula: C20 H28 Cl3 N3 O3
• Calculated formula: C20 H28 Cl3 N3 O3
• SMILES: c12c(cc(cc2)Cl)[nH+]ccc1Nc1cc(c(O)cc1)C[NH+](CC)CC.[Cl-].[Cl-].O.O
• Title of publication: Amodiaquinium dichloride dihydrate from laboratory powder diffraction data
• Authors of publication: Llinàs, Antonio; Fábián, László; Burley, Jonathan C.; Van de Streek, Jacco; Goodman, Jonathan M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o4196 - o4199
• a: 7.83868 ± 0.0001 Å
• b: 26.9917 ± 0.0005 Å
• c: 10.80804 ± 0.00018 Å
• α: 90°
• β: 92.9632 ± 0.0013°
• γ: 90°
• Cell volume: 2283.7 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.29
• Diffraction radiation wavelength: 1.78892 Å
• Diffraction radiation type: CoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No