Information card for entry 2228666

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(2-methylbenzoyl)benzenesulfonamide
• Formula: C14 H12 Cl N O3 S
• Calculated formula: C14 H12 Cl N O3 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1c(cccc1)C
• Title of publication: 4-Chloro-<i>N</i>-(2-methylbenzoyl)benzenesulfonamide
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o22
• a: 6.4328 ± 0.0009 Å
• b: 10.343 ± 0.001 Å
• c: 11.207 ± 0.001 Å
• α: 78.78 ± 0.01°
• β: 73.84 ± 0.01°
• γ: 84.62 ± 0.01°
• Cell volume: 701.88 ± 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: 0.0591
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes