Information card for entry 2236756

Structure parameters

• Chemical name: 2-Nitro-<i>N</i>-phenylbenzenesulfonamide
• Formula: C12 H10 N2 O4 S
• Calculated formula: C12 H10 N2 O4 S
• SMILES: c1(c(cccc1)N(=O)=O)S(=O)(=O)Nc1ccccc1
• Title of publication: 2-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: 9
• Pages of publication: o2651
• a: 13.308 ± 0.002 Å
• b: 6.1629 ± 0.0007 Å
• c: 15.285 ± 0.002 Å
• α: 90°
• β: 100.8 ± 0.01°
• γ: 90°
• Cell volume: 1231.4 ± 0.3 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: 0.0485
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes