Information card for entry 2216787

Structure parameters

• Chemical name: 4-Methyl-N-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzenesulfonamide
• Formula: C15 H13 N O4 S
• Calculated formula: C15 H13 N O4 S
• SMILES: C1(=O)c2ccccc2C(NS(=O)(=O)c2ccc(cc2)C)O1
• Title of publication: 4-Methyl-<i>N</i>-(3-oxo-1,3-dihydroisobenzofuran-1-yl)benzenesulfonamide
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4730 - o4730
• a: 17.6356 ± 0.0014 Å
• b: 8.4593 ± 0.0006 Å
• c: 9.3809 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.49 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes