Information card for entry 2222940

Structure parameters

• Chemical name: 3-(4-Nitrophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Formula: C15 H12 N2 O4
• Calculated formula: C15 H12 N2 O4
• SMILES: O=N(=O)c1ccc(cc1)[C@@H]1O[C@@H]1C(=O)Nc1ccccc1
• Title of publication: 3-(4-Nitrophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2052
• a: 5.98 ± 0.0003 Å
• b: 5.196 ± 0.0004 Å
• c: 21.503 ± 0.005 Å
• α: 90°
• β: 96.105 ± 0.005°
• γ: 90°
• Cell volume: 664.35 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0933
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes