Information card for entry 2240357

Structure parameters

• Chemical name: (2-Methyl-1-phenylsulfonyl-1<i>H</i>-indol-3-yl)(phenyl)methanone
• Formula: C22 H17 N O3 S
• Calculated formula: C22 H17 N O3 S
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)C(=O)c1ccccc1)C
• Title of publication: Crystal structure of [2-methyl-1-(phenylsulfonyl)-1<i>H</i>-indol-3-yl](phenyl)methanone
• Authors of publication: Umadevi, M.; Saravanan, V.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 133 - 135
• a: 8.9989 ± 0.0007 Å
• b: 11.0036 ± 0.0009 Å
• c: 18.4209 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0749
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes