Information card for entry 2014355

Structure parameters

• Chemical name: N,N-diethyl-N'-(7-iodoquinolin-4-yl)ethane-1,2-diamine
• Formula: C15 H20 I N3
• Calculated formula: C15 H20 I N3
• SMILES: Ic1ccc2c(NCCN(CC)CC)ccnc2c1
• Title of publication: Three 4-aminoquinolines of antimalarial interest
• Authors of publication: Bourne, Susan A.; De Villiers, Katherine; Egan, Timothy J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o53 - o57
• a: 13.2379 ± 0.0007 Å
• b: 7.8883 ± 0.0004 Å
• c: 29.4118 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3071.3 ± 0.3 ų
• Cell temperature: 114 ± 2 K
• Ambient diffraction temperature: 114 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes