Information card for entry 2240717

Structure parameters

• Chemical name: 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
• Formula: C22 H18 N2 O5
• Calculated formula: C22 H18 N2 O5
• SMILES: O=C1N([C@H]([C@H]1Oc1ccccc1)c1ccc(N(=O)=O)cc1)c1ccc(OC)cc1.O=C1N([C@@H]([C@@H]1Oc1ccccc1)c1ccc(N(=O)=O)cc1)c1ccc(OC)cc1
• Title of publication: Crystal structure of 1-(4-methoxyphenyl)-4-(4-nitrophenyl)-3-phenoxyazetidin-2-one
• Authors of publication: Çelikesir, Sevim Türktekin; Akkurt, Mehmet; Jarrahpour, Aliasghar; Shafie, Habib Allah; Çelik, Ömer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o12 - o13
• a: 9.8044 ± 0.0003 Å
• b: 10.6483 ± 0.0003 Å
• c: 11.1573 ± 0.0003 Å
• α: 66.957 ± 0.001°
• β: 70.105 ± 0.001°
• γ: 65.973 ± 0.001°
• Cell volume: 956.06 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes