Information card for entry 1519207

Structure parameters

• Formula: C6 H8 N2 O2 S
• Calculated formula: C6 H8 N2 O2 S
• SMILES: S(=O)(=O)(N)c1ccc(N)cc1
• Title of publication: 4-Amino-benzenesulfonamide
• Authors of publication: Coles, Simon J.; Hursthouse, Michael B.; Ward, Suzanna C.; Threlfall, Terry L.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 169
• a: 7.824 ± 0.002 Å
• b: 12.991 ± 0.003 Å
• c: 7.62 ± 0.002 Å
• α: 90°
• β: 104.97 ± 0.03°
• γ: 90°
• Cell volume: 748.2 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No