Information card for entry 2224149

Structure parameters

• Chemical name: Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
• Formula: C19 H16 Cl N O2
• Calculated formula: C19 H16 Cl N O2
• SMILES: Clc1cc2c(c(c(nc2cc1)C)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
• Authors of publication: Subashini, R.; Khan, F. Nawaz; Mittal, Suganya; Hathwar, Venkatesha R.; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2986
• a: 8.3622 ± 0.0003 Å
• b: 10.1971 ± 0.0003 Å
• c: 10.7052 ± 0.0003 Å
• α: 110.44 ± 0.002°
• β: 101.588 ± 0.002°
• γ: 94.86 ± 0.002°
• Cell volume: 825.91 ± 0.05 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1469
• 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: Yes