Information card for entry 2224150

Structure parameters

• Chemical name: Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydroquinoline-3-carboxylate
• Formula: C18 H14 Cl N O3
• Calculated formula: C18 H14 Cl N O3
• SMILES: Clc1cc2c(c(c(=O)[nH]c2cc1)C(=O)OCC)c1ccccc1
• Title of publication: Ethyl 6-chloro-2-oxo-4-phenyl-1,2-dihydroquinoline-3-carboxylate
• Authors of publication: Khan, F. Nawaz; Mittal, Suganya; Anjum, Soheil; 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: o2987
• a: 10.176 ± 0.001 Å
• b: 15.629 ± 0.002 Å
• c: 11.282 ± 0.001 Å
• α: 90°
• β: 115.463 ± 0.001°
• γ: 90°
• Cell volume: 1620 ± 0.3 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes