Information card for entry 2236582

Structure parameters

• Chemical name: <i>N</i>-(4-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)Nc1ccc(cc1)C
• Title of publication: <i>N</i>-(4-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: o2745
• a: 8.2787 ± 0.0005 Å
• b: 11.2017 ± 0.0007 Å
• c: 14.6435 ± 0.0008 Å
• α: 90°
• β: 91.116 ± 0.005°
• γ: 90°
• Cell volume: 1357.71 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes