Information card for entry 2204354

Structure parameters

• Chemical name: 4-nitrobenzenesulfonamide
• Formula: C6 H6 N2 O4 S
• Calculated formula: C6 H6 N2 O4 S
• SMILES: S(=O)(=O)(N)c1ccc(N(=O)=O)cc1
• Title of publication: Redetermination of 4-nitrobenzenesulfonamide
• Authors of publication: Zhou, Tianyan; Zhang, Qiang; Chen, Guoshu; Zhou, Zhongyuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o1767 - o1768
• a: 7.068 ± 0.001 Å
• b: 13.4916 ± 0.0018 Å
• c: 8.8412 ± 0.0012 Å
• α: 90°
• β: 100.459 ± 0.003°
• γ: 90°
• Cell volume: 829.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.056
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes