Information card for entry 2223996

Structure parameters

• Chemical name: (<i>Z</i>)-Isobutyl 2-benzamido-3-(4-chlorophenyl)acrylate
• Formula: C20 H20 Cl N O3
• Calculated formula: C20 H20 Cl N O3
• SMILES: CC(COC(=O)C(=C/c1ccc(cc1)Cl)/NC(=O)c1ccccc1)C
• Title of publication: (<i>Z</i>)-Isobutyl 2-benzamido-3-(4-chlorophenyl)acrylate
• Authors of publication: Su, Gui-Fa; Wang, Zhong-Chang; Huang, Wan-Yun; Wang, Zhi-Xin; Chen, Zi-Lu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2890
• a: 5.0179 ± 0.001 Å
• b: 12.581 ± 0.002 Å
• c: 16.293 ± 0.003 Å
• α: 67.623 ± 0.011°
• β: 83.991 ± 0.015°
• γ: 79.548 ± 0.014°
• Cell volume: 934.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1102
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes