Information card for entry 2225440

Structure parameters

• Chemical name: 2-Methyl-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide
• Formula: C15 H15 N O3 S
• Calculated formula: C15 H15 N O3 S
• SMILES: Cc1ccc(cc1)C(=O)NS(=O)(=O)c1ccccc1C
• Title of publication: 2-Methyl-<i>N</i>-(4-methylbenzoyl)benzenesulfonamide
• Authors of publication: Gowda, B. Thimme; Foro, Sabine; Suchetan, P. A.; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o747
• a: 10.9085 ± 0.0008 Å
• b: 12.1392 ± 0.0009 Å
• c: 12.314 ± 0.0009 Å
• α: 118.846 ± 0.008°
• β: 95.965 ± 0.006°
• γ: 90.136 ± 0.006°
• Cell volume: 1418 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes