Information card for entry 2224508

Structure parameters

• Chemical name: 3-(3-Bromophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Formula: C15 H12 Br N O2
• Calculated formula: C15 H12 Br N O2
• SMILES: Brc1cccc(c1)[C@H]1O[C@H]1C(=O)Nc1ccccc1
• Title of publication: 3-(3-Bromophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Authors of publication: He, Long; Qin, Hong-Mei; Chen, Lian-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3000
• a: 5.5124 ± 0.0001 Å
• b: 11.1975 ± 0.0002 Å
• c: 21.3298 ± 0.0004 Å
• α: 90°
• β: 94.405 ± 0.002°
• γ: 90°
• Cell volume: 1312.69 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes