Information card for entry 2222994

Structure parameters

• Chemical name: 2-Chlorobenzenesulfonamide
• Formula: C6 H6 Cl N O2 S
• Calculated formula: C6 H6 Cl N O2 S
• SMILES: Clc1c(S(=O)(=O)N)cccc1
• Title of publication: 2-Chlorobenzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Shakuntala, K.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2144
• a: 6.955 ± 0.001 Å
• b: 14.848 ± 0.003 Å
• c: 7.751 ± 0.001 Å
• α: 90°
• β: 91.51 ± 0.01°
• γ: 90°
• Cell volume: 800.2 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes