Information card for entry 2237666

Structure parameters

• Chemical name: (4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate
• Formula: C22 H16 Cl2 N2 O5
• Calculated formula: C22 H16 Cl2 N2 O5
• SMILES: Clc1ccc(N(OC(=O)CCc2c(N(=O)=O)cccc2)C(=O)c2ccc(Cl)cc2)cc1
• Title of publication: (4-Chlorobenzoyl)(4-chlorophenyl)amino 3-(2-nitrophenyl)propanoate
• Authors of publication: Ding, Yi-lan; Shao, Chang-jiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o561
• a: 6.171 ± 0.0003 Å
• b: 12.8881 ± 0.0007 Å
• c: 13.349 ± 0.0008 Å
• α: 89.933 ± 0.005°
• β: 76.959 ± 0.005°
• γ: 82.114 ± 0.004°
• Cell volume: 1024.03 ± 0.1 ų
• Cell temperature: 294.1 ± 0.4 K
• Ambient diffraction temperature: 294.1 ± 0.4 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: 0.0651
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes