Information card for entry 2237958

Structure parameters

• Chemical name: <i>N</i>-(2-Methyl-3-oxo-1,3-diphenylpropyl)acetamide
• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: O=C(c1ccccc1)[C@@H]([C@H](NC(=O)C)c1ccccc1)C.O=C(c1ccccc1)[C@H]([C@@H](NC(=O)C)c1ccccc1)C
• Title of publication: <i>N</i>-(2-Methyl-3-oxo-1,3-diphenylpropyl)acetamide
• Authors of publication: Yang, Deli; Shi, Daxin; Zhang, Qi; Chai, Hongxin; Li, Jiarong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o633
• a: 9.156 ± 0.005 Å
• b: 17.668 ± 0.008 Å
• c: 10.103 ± 0.005 Å
• α: 90°
• β: 107.914 ± 0.007°
• γ: 90°
• Cell volume: 1555.1 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.145
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes