Information card for entry 1519191

Structure parameters

• Formula: C6 H8 N2 O2 S
• Calculated formula: C6 H8 N2 O2 S
• SMILES: S(=O)(=O)(c1ccc(cc1)N)N
• Title of publication: 4-Amino-benzenesulfonamide
• Authors of publication: Threlfall, Terry L.; Hursthouse, Michael B.; Coles, Simon J.; Ward, Suzanna C
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1998
• Pages of publication: 158
• a: 8.869 ± 0.002 Å
• b: 8.915 ± 0.002 Å
• c: 9.962 ± 0.002 Å
• α: 90°
• β: 110.4 ± 0.03°
• γ: 90°
• Cell volume: 738.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No