Information card for entry 2236100

Structure parameters

• Chemical name: <i>N</i>-(3-Methylphenyl)-2-nitrobenzenesulfonamide
• Formula: C13 H12 N2 O4 S
• Calculated formula: C13 H12 N2 O4 S
• SMILES: c1(c(cccc1)N(=O)=O)S(=O)(=O)Nc1cc(ccc1)C
• Title of publication: <i>N</i>-(3-Methylphenyl)-2-nitrobenzenesulfonamide
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2627
• a: 9.0292 ± 0.0006 Å
• b: 9.6498 ± 0.0007 Å
• c: 15.878 ± 0.001 Å
• α: 90°
• β: 103.763 ± 0.008°
• γ: 90°
• Cell volume: 1343.73 ± 0.16 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: 0.0499
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes