Information card for entry 2222050

Structure parameters

• Chemical name: 6-(1<i>H</i>-Indol-3-yl)-4-phenyl-2,2'-bipyridine-5-carbonitrile
• Formula: C25 H16 N4
• Calculated formula: C25 H16 N4
• SMILES: n1c(cc(c(c1c1c[nH]c2ccccc12)C#N)c1ccccc1)c1ncccc1
• Title of publication: 6-(1<i>H</i>-Indol-3-yl)-4-phenyl-2,2'-bipyridine-5-carbonitrile
• Authors of publication: Zhu, Weijun; Xiang, Yan; Zhu, Songlei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1187
• a: 9.7744 ± 0.0016 Å
• b: 9.7927 ± 0.0011 Å
• c: 11.233 ± 0.002 Å
• α: 73.121 ± 0.013°
• β: 86.008 ± 0.016°
• γ: 63.853 ± 0.01°
• Cell volume: 921.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes