Information card for entry 2224867

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorobenzoyl)-4-methylbenzenesulfonamide
• Formula: C14 H12 Cl N O3 S
• Calculated formula: C14 H12 Cl N O3 S
• SMILES: Cc1ccc(cc1)S(=O)(=O)NC(=O)c1ccc(cc1)Cl
• Title of publication: <i>N</i>-(4-Chlorobenzoyl)-4-methylbenzenesulfonamide
• Authors of publication: Suchetan, P. A.; Gowda, B. Thimme; Foro, Sabine; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o327
• a: 25.675 ± 0.003 Å
• b: 12.0508 ± 0.0008 Å
• c: 22.191 ± 0.003 Å
• α: 90°
• β: 122.16 ± 0.01°
• γ: 90°
• Cell volume: 5812.5 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes