Information card for entry 2238926

Structure parameters

• Chemical name: 6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile
• Formula: C19 H15 N3 O
• Calculated formula: C19 H15 N3 O
• SMILES: COc1nc(cc(c1C#N)c1ccccc1)c1ccc(cc1)N
• Title of publication: 6-(4-Aminophenyl)-2-methoxy-4-phenylnicotinonitrile
• Authors of publication: Suwunwong, Thitipone; Chantrapromma, Suchada; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1816 - o1817
• a: 10.9448 ± 0.0012 Å
• b: 18.96 ± 0.002 Å
• c: 7.4738 ± 0.0008 Å
• α: 90°
• β: 94.743 ± 0.002°
• γ: 90°
• Cell volume: 1545.6 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No