Information card for entry 2227760

Structure parameters

• Chemical name: <i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide
• Formula: C20 H20 N2 O
• Calculated formula: C20 H20 N2 O
• SMILES: O=C(NC(C)C)c1c(nc2c(c1)cc(cc2)C)c1ccccc1
• Title of publication: <i>N</i>-Isopropyl-6-methyl-2-phenylquinoline-3-carboxamide
• Authors of publication: Benzerka, Saida; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2304 - o2305
• a: 12.0007 ± 0.0003 Å
• b: 9.6314 ± 0.0002 Å
• c: 29.4627 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3405.4 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes