Information card for entry 2237122

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide
• Formula: C12 H9 Cl N2 O4 S
• Calculated formula: C12 H9 Cl N2 O4 S
• SMILES: c1(ccc(cc1)N(=O)=O)S(=O)(=O)Nc1ccc(cc1)Cl
• Title of publication: <i>N</i>-(4-Chlorophenyl)-4-nitrobenzenesulfonamide
• Authors of publication: Chaithanya, U.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o7
• a: 5.0881 ± 0.0004 Å
• b: 13.0313 ± 0.0009 Å
• c: 19.886 ± 0.002 Å
• α: 90°
• β: 94.194 ± 0.007°
• γ: 90°
• Cell volume: 1315 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes