Information card for entry 2229917

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide
• Formula: C12 H8 Cl3 N O2 S
• Calculated formula: C12 H8 Cl3 N O2 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)Nc1cc(cc(c1)Cl)Cl
• Title of publication: 4-Chloro-<i>N</i>-(3,5-dichlorophenyl)benzenesulfonamide
• Authors of publication: Shakuntala, K.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1219
• a: 4.935 ± 0.001 Å
• b: 11.63 ± 0.002 Å
• c: 13.115 ± 0.002 Å
• α: 113.52 ± 0.02°
• β: 90.49 ± 0.01°
• γ: 96.5 ± 0.01°
• Cell volume: 684.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes