Information card for entry 2236122

Structure parameters

• Chemical name: 4-Nitro-<i>N</i>-phenylbenzenesulfonamide
• Formula: C12 H10 N2 O4 S
• Calculated formula: C12 H10 N2 O4 S
• SMILES: c1(ccc(cc1)N(=O)=O)S(=O)(=O)Nc1ccccc1
• Title of publication: 4-Nitro-<i>N</i>-phenylbenzenesulfonamide
• 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: 10
• Pages of publication: o2872
• a: 5.1948 ± 0.0004 Å
• b: 12.8089 ± 0.0009 Å
• c: 18.682 ± 0.001 Å
• α: 90°
• β: 93.419 ± 0.007°
• γ: 90°
• Cell volume: 1240.88 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes