Information card for entry 2221753

Structure parameters

• Chemical name: Ethyl 2-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)acetate
• Formula: C14 H15 N O4
• Calculated formula: C14 H15 N O4
• SMILES: n1(c2ccccc2c(O)c(c1=O)CC(=O)OCC)C
• Title of publication: Ethyl 2-(4-hydroxy-1-methyl-2-oxo-1,2-dihydroquinolin-3-yl)acetate
• Authors of publication: Ukrainets, Igor V.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Davidenko, Alexandra A.; Tkach, Andrei A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o968
• a: 21.608 ± 0.002 Å
• b: 9.2155 ± 0.0009 Å
• c: 14.6795 ± 0.0012 Å
• α: 90°
• β: 119.632 ± 0.009°
• γ: 90°
• Cell volume: 2540.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes