Information card for entry 2226343

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2-chlorobenzoyl)benzenesulfonamide
• Formula: C13 H9 Cl2 N O3 S
• Calculated formula: C13 H9 Cl2 N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1c(cccc1)Cl
• Title of publication: 4-Chloro-<i>N</i>-(2-chlorobenzoyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1467
• a: 6.3882 ± 0.0009 Å
• b: 10.311 ± 0.001 Å
• c: 11.171 ± 0.001 Å
• α: 79.01 ± 0.01°
• β: 74.47 ± 0.01°
• γ: 84.76 ± 0.01°
• Cell volume: 695.32 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes