Information card for entry 2226058

Structure parameters

• Chemical name: 2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide
• Formula: C14 H12 Cl N O3 S
• Calculated formula: C14 H12 Cl N O3 S
• SMILES: c1(c(cccc1)Cl)S(=O)(=O)NC(=O)c1cc(ccc1)C
• Title of publication: 2-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide
• 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: 6
• Pages of publication: o1292
• a: 12.4487 ± 0.0008 Å
• b: 13.4619 ± 0.0008 Å
• c: 17.455 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2925.2 ± 0.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes