Information card for entry 2217525

Structure parameters

• Chemical name: <i>N</i>-(1-Naphthyl)acetoacetamide
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: N(C(=O)CC(=O)C)c1cccc2c1cccc2
• Title of publication: <i>N</i>-(1-Naphthyl)acetoacetamide
• Authors of publication: Xi-Shi Tai; Yi-Min Feng; Hua-Xiang Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o531 - o531
• a: 17.856 ± 0.002 Å
• b: 8.1076 ± 0.0012 Å
• c: 8.5153 ± 0.0014 Å
• α: 90°
• β: 102.777 ± 0.002°
• γ: 90°
• Cell volume: 1202.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0776
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes