Information card for entry 2239862

Structure parameters

• Chemical name: 2-(2-Bromophenyl)-4-(1<i>H</i>-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
• Formula: C24 H14 Br N3 S
• Calculated formula: C24 H14 Br N3 S
• SMILES: c1(cc(c(c(c2c3ccccc3[nH]c2)n1)C#N)c1ccccc1Br)c1cccs1
• Title of publication: Crystal structure of 2-(2-bromophenyl)-4-(1<i>H</i>-indol-3-yl)-6-(thiophen-2-yl)pyridine-3-carbonitrile
• Authors of publication: Vishnupriya, R.; Suresh, J.; Bharkavi, Shanmugavel; 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: o968 - o969
• a: 10.47 ± 0.005 Å
• b: 21.353 ± 0.005 Å
• c: 9.292 ± 0.005 Å
• α: 90°
• β: 107.71 ± 0.005°
• γ: 90°
• Cell volume: 1978.9 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes