Information card for entry 1519216

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: Threlfall, Terry L.; Coles, Simon J.; Ward, Suzanna C.; Hursthouse, Michael B.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 1999
• Pages of publication: 166
• a: 14.784 ± 0.001 Å
• b: 5.67 ± 0.003 Å
• c: 18.492 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1550.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for all reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.1075
• Goodness-of-fit parameter for all reflections: 1.064
• Goodness-of-fit parameter for significantly intense reflections: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No