Information card for entry 2241186

Structure parameters

• Common name: 5-(5-Chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)nicotinonitrile
• Chemical name: 5-(5-Chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)pyridine-3-carbonitrile
• Formula: C22 H14 Cl N3 O2
• Calculated formula: C22 H14 Cl N3 O2
• SMILES: c1(ccc(cc1C(=O)c1cnc(c(c1)C#N)c1c(C)[nH]c2ccccc12)Cl)O
• Title of publication: Crystal structure of 5-(5-chloro-2-hydroxybenzoyl)-2-(2-methyl-1<i>H</i>-indol-3-yl)nicotinonitrile
• Authors of publication: Vimala, G.; Poomathi, N.; AaminaNaaz, Y.; Perumal, P. T.; SubbiahPandi, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: o822 - o823
• a: 16.0673 ± 0.0015 Å
• b: 7.4804 ± 0.0007 Å
• c: 17.0159 ± 0.0015 Å
• α: 90°
• β: 113.452 ± 0.003°
• γ: 90°
• Cell volume: 1876.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1477
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes