Information card for entry 2222725

Structure parameters

• Chemical name: 5-Amino-2-methylbenzenesulfonamide
• Formula: C7 H10 N2 O2 S
• Calculated formula: C7 H10 N2 O2 S
• SMILES: S(=O)(=O)(N)c1c(C)ccc(N)c1
• Title of publication: 5-Amino-2-methylbenzenesulfonamide
• Authors of publication: Ma, Xiang-Jun; Fang, Zheng; Ren, Li-Li; Wei, Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1815
• a: 10.679 ± 0.002 Å
• b: 22.431 ± 0.005 Å
• c: 7.198 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1724.2 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes