Information card for entry 1543089

Structure parameters

• Chemical name: 5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile
• Formula: C21 H13 N3 O2
• Calculated formula: C21 H13 N3 O2
• SMILES: c1c(c2c(cccc2)[nH]1)c1c(cc(cn1)C(=O)c1c(cccc1)O)C#N
• Title of publication: 5-(2-Hydroxybenzoyl)-2-(1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile
• Authors of publication: Ezhilarasi, K. S.; Poomathi, Nataraj; Perumal, P. T.; Vasanthi, R.; Usha, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160586
• a: 12.4764 ± 0.0006 Å
• b: 7.8471 ± 0.0003 Å
• c: 16.7265 ± 0.0008 Å
• α: 90°
• β: 90.478 ± 0.002°
• γ: 90°
• Cell volume: 1637.53 ± 0.13 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: 0.0558
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.57
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes