Information card for entry 2210821

Structure parameters

• Chemical name: 4-(4-Bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methyloxyphenyl)azetidin- 2-one
• Formula: C20 H17 Br N2 O4
• Calculated formula: C20 H17 Br N2 O4
• SMILES: Brc1ccc([C@@H]2N(C(=O)[C@@H]2N2C(=O)CCC2=O)c2ccc(OC)cc2)cc1.Brc1ccc([C@H]2N(C(=O)[C@H]2N2C(=O)CCC2=O)c2ccc(OC)cc2)cc1
• Title of publication: 4-(4-Bromophenyl)-3-(2,5-dioxopyrrolidin-1-yl)-1-(4-methyloxyphenyl)azetidin-2-one
• Authors of publication: Zhang, Ping; Yu, Jing-Min; Liu, Na; Li, Yuan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4487 - o4488
• a: 9.1715 ± 0.0011 Å
• b: 10.1286 ± 0.0012 Å
• c: 10.6487 ± 0.0012 Å
• α: 111.211 ± 0.001°
• β: 92.045 ± 0.002°
• γ: 94.645 ± 0.001°
• Cell volume: 916.91 ± 0.19 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: 0.0423
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No