Information card for entry 2225475

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(4-chlorophenyl)benzenesulfonamide
• Formula: C12 H8 Cl3 N O2 S
• Calculated formula: C12 H8 Cl3 N O2 S
• SMILES: c1(c(cc(cc1)Cl)Cl)S(=O)(=O)Nc1ccc(cc1)Cl
• Title of publication: 2,4-Dichloro-<i>N</i>-(4-chlorophenyl)benzenesulfonamide
• Authors of publication: Nirmala, P. G.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o918
• a: 6.3925 ± 0.0009 Å
• b: 10.524 ± 0.002 Å
• c: 11.684 ± 0.002 Å
• α: 69.51 ± 0.01°
• β: 77.96 ± 0.01°
• γ: 77.3 ± 0.01°
• Cell volume: 710.8 ± 0.2 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: 0.0408
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes