Information card for entry 2207665

Structure parameters

• Chemical name: 4-Methyl-N-(4-nitrophenyl)benzenesulfonamide
• Formula: C13 H12 N2 O4 S
• Calculated formula: C13 H12 N2 O4 S
• SMILES: S(=O)(=O)(Nc1ccc(N(=O)=O)cc1)c1ccc(cc1)C
• Title of publication: 4-Methyl-<i>N</i>-(4-nitrophenyl)benzenesulfonamide
• Authors of publication: Jun-De Xing; Tao Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4318 - o4319
• a: 13.8 ± 0.003 Å
• b: 8.232 ± 0.0016 Å
• c: 11.959 ± 0.002 Å
• α: 90°
• β: 103.36 ± 0.03°
• γ: 90°
• Cell volume: 1321.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.041
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes