Information card for entry 2213173

Structure parameters

• Common name: N-(3-nitrophenyl)-methanesulfonamide
• Chemical name: N-(3-nitrophenyl)methanesulfonamide
• Formula: C7 H8 N2 O4 S
• Calculated formula: C7 H8 N2 O4 S
• SMILES: CS(=O)(=O)Nc1cc(ccc1)N(=O)=O
• Title of publication: <i>N</i>-(3-Nitrophenyl)methanesulfonamide
• Authors of publication: B. Thimme Gowda; Sabine Foro; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2337 - o2337
• a: 6.959 ± 0.001 Å
• b: 8.207 ± 0.001 Å
• c: 8.759 ± 0.001 Å
• α: 96.93 ± 0.01°
• β: 111.05 ± 0.01°
• γ: 99.78 ± 0.01°
• Cell volume: 451.02 ± 0.11 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes