Information card for entry 2213850

Structure parameters

• Chemical name: N-benzyl-3-(4-chlorophenyl)-3-phenylacrylamide
• Formula: C22 H18 Cl N O
• Calculated formula: C22 H18 Cl N O
• SMILES: c1ccccc1CNC(=O)C=C(c1ccccc1)c1ccc(cc1)Cl
• Title of publication: <i>N</i>-Benzyl-3-(4-chlorophenyl)-3-phenylacrylamide
• Authors of publication: Hu, Yi-Min; Cheng, Dong; Wu, Feng-Hua; Ren, Dong; Ou-Yang Ying
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3038 - o3038
• a: 10.352 ± 0.002 Å
• b: 19.028 ± 0.004 Å
• c: 9.621 ± 0.002 Å
• α: 90°
• β: 107.02 ± 0.03°
• γ: 90°
• Cell volume: 1812.1 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes