Information card for entry 2214627

Structure parameters

• Chemical name: (Z)-3-(1H-Indol-3-yl)2-(4-nitrophenyl)acrylonitrile
• Formula: C17 H11 N3 O2
• Calculated formula: C17 H11 N3 O2
• SMILES: [nH]1cc(c2c1cccc2)/C=C(C#N)/c1ccc(N(=O)=O)cc1
• Title of publication: (<i>Z</i>)-3-(1<i>H</i>-Indol-3-yl)-2-(4-nitrophenyl)acrylonitrile
• Authors of publication: Qian, Bao-Hua; Liu, Wei-Wei; Hu, Hong-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3627 - o3627
• a: 7.6534 ± 0.0007 Å
• b: 12.7131 ± 0.0014 Å
• c: 14.3741 ± 0.0019 Å
• α: 90°
• β: 92.329 ± 0.002°
• γ: 90°
• Cell volume: 1397.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0901
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes