Information card for entry 2225497

Structure parameters

• Chemical name: 3-[1-(4-Methylphenylsulfonyl)-1,4-dihydropyridin-4-yl]-1<i>H</i>-indole
• Formula: C20 H18 N2 O2 S
• Calculated formula: C20 H18 N2 O2 S
• SMILES: S(=O)(=O)(N1C=CC(c2c3c([nH]c2)cccc3)C=C1)c1ccc(cc1)C
• Title of publication: 3-[1-(4-Methylphenylsulfonyl)-1,4-dihydropyridin-4-yl]-1<i>H</i>-indole
• Authors of publication: Oliveira-Campos, Ana M. F.; Ribeiro, Joana M. O.; Rodrigues, Lígia M.; Parpot, Pier; Lopes, Paulo E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o915
• a: 7.9192 ± 0.0009 Å
• b: 11.4344 ± 0.0013 Å
• c: 19.168 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1735.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0776
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes