Information card for entry 2238158

Structure parameters

• Chemical name: Ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
• Formula: C19 H18 Cl N O3
• Calculated formula: C19 H18 Cl N O3
• SMILES: CCOC(=O)c1c(C)nc2c(c1c1ccc(cc1)Cl)C(=O)CCC2
• Title of publication: Ethyl 4-(4-chlorophenyl)-2-methyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
• Authors of publication: Wang, Ke; Wang, Weike; Wang, Yifeng; Xu, Danqian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1127
• a: 12.5736 ± 0.0007 Å
• b: 8.3815 ± 0.0004 Å
• c: 17.4945 ± 0.0008 Å
• α: 90°
• β: 112.151 ± 0.002°
• γ: 90°
• Cell volume: 1707.59 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1109
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes