Information card for entry 2224146

Structure parameters

• Chemical name: Ethyl 2,6-dichloro-4-phenylquinoline-3-carboxylate
• Formula: C18 H13 Cl2 N O2
• Calculated formula: C18 H13 Cl2 N O2
• SMILES: Clc1nc2c(c(c1C(=O)OCC)c1ccccc1)cc(Cl)cc2
• Title of publication: Ethyl 2,6-dichloro-4-phenylquinoline-3-carboxylate
• Authors of publication: Roopan, S. Mohana; Khan, F. Nawaz; Vijetha, M.; 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: o2982
• a: 8.3553 ± 0.0003 Å
• b: 10.1861 ± 0.0005 Å
• c: 10.6731 ± 0.0006 Å
• α: 110.537 ± 0.005°
• β: 101.421 ± 0.004°
• γ: 95.98 ± 0.004°
• Cell volume: 818.74 ± 0.08 ų
• Cell temperature: 295 ± 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: 0.0717
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1316
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes