Information card for entry 2240729

Structure parameters

• Chemical name: 3-(4-chlorophenoxy)-4-(2-nitrophenyl)azetidin-2-one
• Formula: C15 H11 Cl N2 O4
• Calculated formula: C15 H11 Cl N2 O4
• SMILES: Clc1ccc(O[C@@H]2C(=O)N[C@@H]2c2ccccc2N(=O)=O)cc1.Clc1ccc(O[C@H]2C(=O)N[C@H]2c2ccccc2N(=O)=O)cc1
• Title of publication: Crystal structure of 3-(4-chlorophenoxy)-4-(2-nitrophenyl)azetidin-2-one with an unknown solvate
• 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: o8 - o9
• a: 16.9505 ± 0.0004 Å
• b: 4.6517 ± 0.0001 Å
• c: 21.7167 ± 0.0006 Å
• α: 90°
• β: 99.757 ± 0.001°
• γ: 90°
• Cell volume: 1687.56 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0687
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes