Information card for entry 2239847

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-4-(1<i>H</i>-indol-3-yl)-6-phenylpyridine-3-carbonitrile
• Formula: C26 H16 Cl N3
• Calculated formula: C26 H16 Cl N3
• SMILES: c1(cc(c(c(c2c3ccccc3[nH]c2)n1)C#N)c1ccc(cc1)Cl)c1ccccc1
• Title of publication: Crystal structure of 2-(4-chlorophenyl)-4-(1<i>H</i>-indol-3-yl)-6-phenylpyridine-3-carbonitrile
• Authors of publication: Vishnupriya, R.; Suresh, J.; Gunasekaran, Pethaiah; Perumal, Subbu; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o978
• a: 7.6533 ± 0.0004 Å
• b: 11.4822 ± 0.0007 Å
• c: 23.2906 ± 0.0014 Å
• α: 90°
• β: 94.351 ± 0.001°
• γ: 90°
• Cell volume: 2040.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes