Information card for entry 2236114

Structure parameters

• Chemical name: <i>N</i>-(2-Methylphenyl)-4-nitrobenzenesulfonamide
• Formula: C13 H12 N2 O4 S
• Calculated formula: C13 H12 N2 O4 S
• SMILES: S(=O)(=O)(Nc1c(cccc1)C)c1ccc(N(=O)=O)cc1
• Title of publication: <i>N</i>-(2-Methylphenyl)-4-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: o2766
• a: 14.106 ± 0.001 Å
• b: 7.0082 ± 0.0005 Å
• c: 14.854 ± 0.002 Å
• α: 90°
• β: 110.84 ± 0.01°
• γ: 90°
• Cell volume: 1372.4 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes