Information card for entry 2239757

Structure parameters

• Chemical name: 4-Methyl-<i>N</i>-{2-[(<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide
• Formula: C22 H19 N O3 S
• Calculated formula: C22 H19 N O3 S
• SMILES: c1(c(cccc1)NS(=O)(=O)c1ccc(cc1)C)/C=C/C(=O)c1ccccc1
• Title of publication: 4-Methyl-<i>N</i>-{2-[(<i>E</i>)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}benzenesulfonamide
• Authors of publication: Kim, Sung-Gon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: o851
• a: 8.9356 ± 0.0007 Å
• b: 10.8873 ± 0.0008 Å
• c: 19.3122 ± 0.0014 Å
• α: 90°
• β: 99.472 ± 0.002°
• γ: 90°
• Cell volume: 1853.2 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1328
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes