Information card for entry 8101771

Structure parameters

• Chemical name: p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene-sulfonamide
• Formula: C21 H18 N2 O2 S
• Calculated formula: C21 H18 N2 O2 S
• SMILES: S(=O)(=O)(Nc1cccc2c1[nH]c(c2)c1ccccc1)c1ccc(cc1)C
• Title of publication: Crystal structures of p-methyl-N-(2-phenyl-1H-indol-7-yl)-benzene- sulfonamide, C~21~H~18~N~2~O~2~S, and p-methoxy-N-(2-phenyl-1H-indol- 7-yl)-benzene-sulfonamide, C~21~H~18~N~2~O~3~S
• Authors of publication: X.-H. Huang; Q.-F. Zhang; H. H. Y. Sung
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 2
• Pages of publication: 258 - 260
• a: 5.0299 ± 0.001 Å
• b: 18.894 ± 0.004 Å
• c: 36.178 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3438.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No