Information card for entry 2233099

Structure parameters

• Chemical name: 4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate
• Formula: C14 H14 Cl N O4 S
• Calculated formula: C14 H14 Cl N O4 S
• SMILES: c1(ccc(cc1)Cl)S(=O)(=O)NC(=O)c1cc(ccc1)C.O
• Title of publication: 4-Chloro-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide monohydrate
• Authors of publication: Suchetan, P. A.; Foro, Sabine; Gowda, B. Thimme; Prakash, M. Shet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o46
• a: 5.0148 ± 0.0006 Å
• b: 12.864 ± 0.002 Å
• c: 46.314 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2987.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1434
• Residual factor for significantly intense reflections: 0.1045
• Weighted residual factors for significantly intense reflections: 0.1718
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.352
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes