Information card for entry 7056675

Structure parameters

• Chemical name: Ethyl 4',6'-dimethyl-2-oxo-2H-[1,2'-bipyridine]-5-carboxylate
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: c1(cn(c(=O)cc1)c1nc(cc(c1)C)C)C(=O)OCC
• Title of publication: Novel construction of diversely functionalized N-heteroaryl-2-pyridones via copper(ii)-catalyzed [3+2+1] annulation
• Authors of publication: Akhtar, Muhammad Saeed; Shim, Jae-Jin; Kim, Sung Hong; Lee, Yong Rok
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 21
• Pages of publication: 13027 - 13035
• a: 11.3734 ± 0.0005 Å
• b: 7.9651 ± 0.0003 Å
• c: 15.65 ± 0.0007 Å
• α: 90°
• β: 94.572 ± 0.002°
• γ: 90°
• Cell volume: 1413.23 ± 0.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0763
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No