Information card for entry 2241751

Structure parameters

• Common name: 1-benzoyl-2-(m-nitrophenyl)ethylene oxide
• Chemical name: [3-(3-Nitrophenyl)oxiran-2-yl](phenyl)methanone
• Formula: C15 H11 N O4
• Calculated formula: C15 H11 N O4
• SMILES: O=C([C@@H]1O[C@H]1c1cccc(N(=O)=O)c1)c1ccccc1
• Title of publication: Two polymorphs of <i>trans</i>-[3-(3-nitrophenyl)oxiran-2-yl](phenyl)methanone
• Authors of publication: Greenberg, Fred H.; Nazarenko, Alexander Y.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 1054 - 1059
• a: 4.1615 ± 0.0002 Å
• b: 14.7498 ± 0.0006 Å
• c: 20.3168 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1247.07 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes