Information card for entry 7226398

Structure parameters

• Chemical name: Methyl 5-(2-methoxybenzoyl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylate
• Formula: C16 H15 N O5
• Calculated formula: C16 H15 N O5
• SMILES: O=C(c1c(cccc1)OC)c1cn(c(=O)c(c1)C(=O)OC)C
• Title of publication: A green synthetic approach to synthesizing diverse 2-pyridones for their exceptional UV shielding functions
• Authors of publication: Bautista Maezono, Shizuka Mei; Poudel, Tej Narayan; Xia, Likai; Lee, Yong Rok
• Journal of publication: RSC Adv.
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 85
• Pages of publication: 82321
• a: 8.3195 ± 0.0004 Å
• b: 13.6469 ± 0.0006 Å
• c: 12.8427 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1458.1 ± 0.11 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0769
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No