Information card for entry 2228840

Structure parameters

• Chemical name: 3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one
• Formula: C22 H16 Cl2 N2 O5
• Calculated formula: C22 H16 Cl2 N2 O5
• SMILES: Clc1c(O[C@H]2C(=O)N([C@H]2c2cccc(N(=O)=O)c2)c2ccc(OC)cc2)ccc(Cl)c1.Clc1c(O[C@@H]2C(=O)N([C@@H]2c2cccc(N(=O)=O)c2)c2ccc(OC)cc2)ccc(Cl)c1
• Title of publication: 3-(2,4-Dichlorophenoxy)-1-(4-methoxyphenyl)-4-(3-nitrophenyl)azetidin-2-one
• Authors of publication: Akkurt, Mehmet; Türktekin, Sevim; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o183
• a: 9.0406 ± 0.0002 Å
• b: 17.8177 ± 0.0005 Å
• c: 25.9964 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4187.57 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0669
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes