Information card for entry 2226846

Structure parameters

• Chemical name: <i>N</i>-(4-Chlorobenzoyl)-2-methylbenzenesulfonamide
• Formula: C14 H12 Cl N O3 S
• Calculated formula: C14 H12 Cl N O3 S
• SMILES: Clc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1C
• Title of publication: <i>N</i>-(4-Chlorobenzoyl)-2-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: 8
• Pages of publication: o1997
• a: 10.9188 ± 0.0009 Å
• b: 12.157 ± 0.001 Å
• c: 12.347 ± 0.001 Å
• α: 60.533 ± 0.007°
• β: 84.705 ± 0.009°
• γ: 84.254 ± 0.009°
• Cell volume: 1418 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes