Information card for entry 2223322

Structure parameters

• Chemical name: 2-Amino-4-methylbenzenesulfonamide
• Formula: C7 H10 N2 O2 S
• Calculated formula: C7 H10 N2 O2 S
• SMILES: S(=O)(=O)(N)c1c(N)cc(cc1)C
• Title of publication: 2-Amino-4-methylbenzenesulfonamide
• Authors of publication: Qian, Shao-Song; Hu, Hao; Cui, Hong-You
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2513
• a: 9.873 ± 0.005 Å
• b: 9.151 ± 0.004 Å
• c: 10.408 ± 0.005 Å
• α: 90°
• β: 114.689 ± 0.006°
• γ: 90°
• Cell volume: 854.4 ± 0.7 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0507
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes