Information card for entry 2241682

Structure parameters

• Chemical name: (<i>E</i>)-2-(3-Methylphenyl)-<i>N</i>-(4-methylphenylsulfonyl)-3-phenylacrylamide
• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: S(=O)(=O)(NC(=O)C(=C\c1ccccc1)\c1cc(ccc1)C)c1ccc(C)cc1
• Title of publication: Crystal structures of (<i>E</i>)-3-(furan-2-yl)-2-phenyl-<i>N</i>-tosylacrylamide and (<i>E</i>)-3-phenyl-2-(<i>m</i>-tolyl)-<i>N</i>-tosylacrylamide
• Authors of publication: Cheng, Dong; Meng, Xiangzhen; Sheng, Zeyuan; Wang, Shuangming; Duan, Yuanyuan; Li, Ziqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 797 - 800
• a: 9.2595 ± 0.001 Å
• b: 10.1158 ± 0.0011 Å
• c: 11.9271 ± 0.0012 Å
• α: 72.396 ± 0.001°
• β: 67.518 ± 0.001°
• γ: 79.346 ± 0.001°
• Cell volume: 980.89 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0436
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No