Information card for entry 2227857

Structure parameters

• Chemical name: 4-Amino-3,5-dichlorobenzenesulfonamide
• Formula: C6 H6 Cl2 N2 O2 S
• Calculated formula: C6 H6 Cl2 N2 O2 S
• SMILES: Clc1cc(S(=O)(=O)N)cc(Cl)c1N
• Title of publication: 4-Amino-3,5-dichlorobenzenesulfonamide
• Authors of publication: Qin, Xiu-Ying; Liu, Han-Fu; Lin, Jia-Xun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2838
• a: 8.9544 ± 0.0017 Å
• b: 13.387 ± 0.003 Å
• c: 7.5673 ± 0.0015 Å
• α: 90°
• β: 95.809 ± 0.002°
• γ: 90°
• Cell volume: 902.5 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes