Information card for entry 2224919

Structure parameters

• Chemical name: 2-Methyl-<i>N</i>-(3-methylbenzoyl)benzenesulfonamide
• Formula: C15 H15 N O3 S
• Calculated formula: C15 H15 N O3 S
• SMILES: S(=O)(=O)(NC(=O)c1cc(ccc1)C)c1c(cccc1)C
• Title of publication: 2-Methyl-<i>N</i>-(3-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: 2
• Pages of publication: o433
• a: 18.023 ± 0.004 Å
• b: 12.045 ± 0.003 Å
• c: 17.335 ± 0.004 Å
• α: 90°
• β: 127.67 ± 0.01°
• γ: 90°
• Cell volume: 2978.7 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes