Information card for entry 2228141

Structure parameters

• Chemical name: 3-(4-Cyanophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: N#Cc1ccc(cc1)[C@H]1O[C@H]1C(=O)Nc1ccccc1
• Title of publication: 3-(4-Cyanophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Authors of publication: He, Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2959
• a: 5.1332 ± 0.0001 Å
• b: 18.0803 ± 0.0006 Å
• c: 15.0202 ± 0.0004 Å
• α: 90°
• β: 90.449 ± 0.002°
• γ: 90°
• Cell volume: 1393.98 ± 0.07 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: 0.0884
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1763
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes