Information card for entry 2230150

Structure parameters

• Chemical name: 3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one
• Formula: C22 H17 Cl N2 O5
• Calculated formula: C22 H17 Cl N2 O5
• SMILES: Clc1ccc(O[C@H]2C(=O)N([C@H]2c2ccc(N(=O)=O)cc2)c2ccc(OC)cc2)cc1.Clc1ccc(O[C@@H]2C(=O)N([C@@H]2c2ccc(N(=O)=O)cc2)c2ccc(OC)cc2)cc1
• Title of publication: 3-(4-Chlorophenoxy)-1-(4-methoxyphenyl)-4-(4-nitrophenyl)azetidin-2-one
• Authors of publication: Butcher, Ray J.; Akkurt, Mehmet; Jarrahpour, Aliasghar; Badrabady, Seid Ali Torabi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1101 - o1102
• a: 6.0863 ± 0.0002 Å
• b: 20.0855 ± 0.0007 Å
• c: 17.3819 ± 0.0007 Å
• α: 90°
• β: 97.419 ± 0.004°
• γ: 90°
• Cell volume: 2107.09 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.1088
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1723
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes