Information card for entry 2214163

Structure parameters

• Common name: 3,4-Dichlorobenzenesulfonamide
• Chemical name: 3,4-Dichlorobenzenesulfonamide
• Formula: C6 H5 Cl2 N O2 S
• Calculated formula: C6 H5 Cl2 N O2 S
• SMILES: c1(cc(c(cc1)Cl)Cl)S(=O)(=O)N
• Title of publication: 3,4-Dichlorobenzenesulfonamide
• Authors of publication: B. Thimme Gowda; K. S. Babitha; Ingrid Svoboda; Hartmut Fuess
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3245 - o3245
• a: 11.353 ± 0.002 Å
• b: 5.9629 ± 0.0007 Å
• c: 13.452 ± 0.002 Å
• α: 90°
• β: 106.26 ± 0.01°
• γ: 90°
• Cell volume: 874.2 ± 0.2 ų
• Cell temperature: 302 ± 2 K
• Ambient diffraction temperature: 302 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes