Information card for entry 2224589

Structure parameters

• Chemical name: Methyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
• Formula: C18 H14 Cl N O2
• Calculated formula: C18 H14 Cl N O2
• SMILES: c12c(c(c(c(C)n2)C(=O)OC)c2ccccc2)cc(cc1)Cl
• Title of publication: Methyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
• Authors of publication: Sundar, J. Kalyana; Natarajan, S.; Sarveswari, S.; Vijayakumar, V.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o169
• a: 10.828 ± 0.005 Å
• b: 7.535 ± 0.004 Å
• c: 18.829 ± 0.005 Å
• α: 90°
• β: 94.369 ± 0.005°
• γ: 90°
• Cell volume: 1531.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes