Information card for entry 2219528

Structure parameters

• Common name: 4-(2,4-Dichlorophenyl)-2-(1H-indol-3-yl)-6-methoxypyridine-3,5- dicarbonitrile
• Chemical name: 4-(2,4-Dichlorophenyl)-2-(1<i>H</i>-indol-3-yl)-6-methoxypyridine-3,5- dicarbonitrile
• Formula: C22 H12 Cl2 N4 O
• Calculated formula: C22 H12 Cl2 N4 O
• SMILES: Clc1ccc(c2c(c(nc(OC)c2C#N)c2c3ccccc3[nH]c2)C#N)c(Cl)c1
• Title of publication: 4-(2,4-Dichlorophenyl)-2-(1<i>H</i>-indol-3-yl)-6-methoxypyridine-3,5-dicarbonitrile
• Authors of publication: Ramesh, P.; Subbiahpandi, A.; Thirumurugan, P.; Perumal, P. T.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1892
• a: 9.5394 ± 0.0002 Å
• b: 10.0358 ± 0.0002 Å
• c: 11.1739 ± 0.0003 Å
• α: 111.994 ± 0.001°
• β: 97.303 ± 0.001°
• γ: 93.715 ± 0.001°
• Cell volume: 976.47 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0381
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes