Information card for entry 2017258

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide
• Formula: C14 H13 N O2
• Calculated formula: C14 H13 N O2
• SMILES: c1(cccc2ccccc12)C(=O)C(=O)N(C)C
• Title of publication: 2-Oxo-2-phenyl-<i>N</i>-[(<i>R</i>)-1-phenylethyl]acetamide and <i>N</i>,<i>N</i>-dimethyl-2-(1-naphthyl)-2-oxoacetamide: possibility of Yang photocyclization in a crystal
• Authors of publication: Bakowicz, Julia; Turowska-Tyrk, Ilona
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o377 - o380
• a: 8.981 ± 0.003 Å
• b: 24.056 ± 0.008 Å
• c: 10.895 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.8 ± 1.3 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes