Information card for entry 2236779

Structure parameters

• Chemical name: <i>N</i>-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate
• Formula: C22 H17 Cl N2 O5
• Calculated formula: C22 H17 Cl N2 O5
• SMILES: c1(ccccc1CCC(=O)ON(c1ccccc1Cl)C(=O)c1ccccc1)N(=O)=O
• Title of publication: <i>N</i>-(2-Chlorophenyl)-1-phenylformamido 3-(2-nitrophenyl)propanoate
• Authors of publication: Zhang, Hongxia; Qu, Donghui; Ma, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2904
• a: 14.698 ± 0.009 Å
• b: 8.03 ± 0.005 Å
• c: 17.495 ± 0.011 Å
• α: 90°
• β: 103.059 ± 0.007°
• γ: 90°
• Cell volume: 2011 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes