Information card for entry 2202013

Structure parameters

• Chemical name: Methyl 4-amino-2-oxo-1,2-dihydroquinoline-3-carboxylate
• Formula: C11 H10 N2 O3
• Calculated formula: C11 H10 N2 O3
• SMILES: [nH]1c(=O)c(c(c2ccccc12)N)C(=O)OC
• Title of publication: Methyl 4-amino-2-oxo-1,2-dihydroquinoline-3-carboxylate
• Authors of publication: Rybakov, Victor B.; Chernyshev, Vladimir V.; Ukrainets, Igor V.; Bezugly, Peter A.; Sidorenko, Lyudmila V.; Nicola Skaif
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 4
• Pages of publication: o412 - o414
• a: 10.033 ± 0.002 Å
• b: 7.27 ± 0.02 Å
• c: 13.538 ± 0.003 Å
• α: 90°
• β: 90.64 ± 0.02°
• γ: 90°
• Cell volume: 987 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes