Information card for entry 2209810

Structure parameters

• Chemical name: 4-(4-Chlorophenyl)-3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-1-(4- methoxyphenyl)azetidin-2-one
• Formula: C20 H15 Cl N2 O4
• Calculated formula: C20 H15 Cl N2 O4
• SMILES: Clc1ccc([C@H]2N(C(=O)[C@H]2N2C(=O)C=CC2=O)c2ccc(OC)cc2)cc1.Clc1ccc([C@@H]2N(C(=O)[C@@H]2N2C(=O)C=CC2=O)c2ccc(OC)cc2)cc1
• Title of publication: 4-(4-Chlorophenyl)-3-(2,5-dioxo-2,5-dihydropyrrol-1-yl)-1-(4-methoxyphenyl)azetidin-2-one
• Authors of publication: Ping, Zhang; Na, Liu; Yuan, Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3523 - o3524
• a: 12.344 ± 0.003 Å
• b: 11.609 ± 0.003 Å
• c: 13.64 ± 0.003 Å
• α: 90°
• β: 112.888 ± 0.003°
• γ: 90°
• Cell volume: 1800.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes