Information card for entry 2241077

Structure parameters

• Chemical name: <i>N</i>-{[3-Bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide
• Formula: C21 H17 Br N2 O4 S2
• Calculated formula: C21 H17 Br N2 O4 S2
• SMILES: c1(ccccc1)S(=O)(=O)n1c(c(c2ccccc12)Br)CNS(=O)(=O)c1ccccc1
• Title of publication: Crystal structure of <i>N</i>-{[3-bromo-1-(phenylsulfonyl)-1<i>H</i>-indol-2-yl]methyl}benzenesulfonamide
• Authors of publication: Umadevi, M.; Raju, P.; Yamuna, R.; Mohanakrishnan, A. K.; Chakkaravarthi, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 10
• Pages of publication: o756 - o757
• a: 7.5129 ± 0.0006 Å
• b: 17.4245 ± 0.0014 Å
• c: 16.0988 ± 0.0014 Å
• α: 90°
• β: 98.087 ± 0.003°
• γ: 90°
• Cell volume: 2086.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.0533
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes