Information card for entry 2212675

Structure parameters

• Chemical name: N-[1-(Benzylaminocarbonyl)-2-(4-chlorophenyl)ethyl]benzamide
• Formula: C23 H19 Cl N2 O2
• Calculated formula: C23 H19 Cl N2 O2
• SMILES: Clc1ccc(cc1)C=C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1
• Title of publication: <i>N</i>-[1-(Benzylaminocarbonyl)-2-(4-chlorophenyl)ethyl]benzamide
• Authors of publication: Li-Rong Wen; Peng Liu; Ming Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: o1212 - o1214
• a: 22.513 ± 0.003 Å
• b: 22.513 ± 0.003 Å
• c: 15.529 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7871 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0928
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes