Information card for entry 2214971

Structure parameters

• Chemical name: 4-(4-Nitrophenyl)-3-phenoxyazetidin-2-one
• Formula: C15 H12 N2 O4
• Calculated formula: C15 H12 N2 O4
• SMILES: O(c1ccccc1)[C@H]1C(=O)N[C@H]1c1ccc(N(=O)=O)cc1.O(c1ccccc1)[C@@H]1C(=O)N[C@@H]1c1ccc(N(=O)=O)cc1
• Title of publication: 4-(4-Nitrophenyl)-3-phenoxyazetidin-2-one
• Authors of publication: Mehmet Akkurt; Şerife Pınar Yalçın; Ali Asghar Jarrahpour; Mohammad Nazari; Orhan Büyükgüngör
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3729 - o3730
• a: 6.1548 ± 0.0007 Å
• b: 9.8007 ± 0.0011 Å
• c: 11.9296 ± 0.0013 Å
• α: 80.552 ± 0.009°
• β: 75.167 ± 0.009°
• γ: 82.188 ± 0.009°
• Cell volume: 682.86 ± 0.14 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes