Information card for entry 2220869

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)benzenesulfonamide
• Formula: C14 H12 N2 O3 S2
• Calculated formula: C14 H12 N2 O3 S2
• SMILES: S1N(NS(=O)(=O)c2ccc(cc2)C)C(=O)c2ccccc12
• Title of publication: 4-Methyl-<i>N</i>-(3-oxo-2,3-dihydro-1,2-benzisothiazol-2-yl)benzenesulfonamide
• Authors of publication: Rizzoli, Corrado; Vicini, Paola; Incerti, Matteo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o425 - o426
• a: 8.051 ± 0.003 Å
• b: 7.655 ± 0.003 Å
• c: 23.91 ± 0.01 Å
• α: 90°
• β: 98.49 ± 0.008°
• γ: 90°
• Cell volume: 1457.4 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes