Information card for entry 2224188

Structure parameters

• Chemical name: (2<i>R</i>,3<i>R</i>)-3-(2-Chlorophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Formula: C15 H12 Cl N O2
• Calculated formula: C15 H12 Cl N O2
• SMILES: c1(ccccc1[C@@H]1[C@H](C(=O)Nc2ccccc2)O1)Cl
• Title of publication: (2<i>R</i>,3<i>R</i>)-3-(2-Chlorophenyl)-<i>N</i>-phenyloxirane-2-carboxamide
• Authors of publication: Chen, Lian-Mei; Kang, Tai-Ran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3126
• a: 6.661 ± 0.0001 Å
• b: 10.0343 ± 0.0002 Å
• c: 20.2433 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1353.03 ± 0.04 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.203
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes