Information card for entry 1557642

Structure parameters

• Common name: chloroquine
• Formula: C18 H26 Cl N3
• Calculated formula: C18 H26 Cl N3
• SMILES: Clc1cc2nccc(NC(C)CCCN(CC)CC)c2cc1
• Title of publication: 7-CHLORO-4(4-DIETHYLAMINO-1-METHYLBUTYL-AMINO) QUINOLINE, C18H26CLN3 (CHLOROQUINE BASE)
• Authors of publication: C. Courseille; B. Busetta; M. Hospital
• Journal of publication: Crystal Structure Communications
• Year of publication: 1973
• Journal volume: 2
• Pages of publication: 283 - 286
• a: 22.502 ± 0.009 Å
• b: 12.689 ± 0.005 Å
• c: 12.952 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698 ± 3 ų
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for significantly intense reflections: 0.093
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No