Information card for entry 2224684

Structure parameters

• Chemical name: 2-Methyl-5-nitrobenzenesulfonamide
• Formula: C7 H8 N2 O4 S
• Calculated formula: C7 H8 N2 O4 S
• SMILES: c1(c(ccc(c1)N(=O)=O)C)S(=O)(=O)N
• Title of publication: 2-Methyl-5-nitrobenzenesulfonamide
• Authors of publication: Zia-ur-Rehman, Muhammad; Khan, Islam Ullah; Naz, Nargis; Arshad, Muhammad Nadeem
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o136
• a: 4.9872 ± 0.0004 Å
• b: 6.2814 ± 0.0005 Å
• c: 28.557 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 894.59 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0987
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes