Information card for entry 2240732

Structure parameters

• Chemical name: Ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate
• Formula: C18 H13 F2 N O2
• Calculated formula: C18 H13 F2 N O2
• SMILES: Fc1cc(F)cc(c2nc3ccccc3c(c2)C(=O)OCC)c1
• Title of publication: Crystal structure of ethyl 2-(3,5-difluorophenyl)quinoline-4-carboxylate
• Authors of publication: Sunitha, V. M.; Naveen, S.; Manjunath, H. R.; Benaka Prasad, S. B.; Manivannan, V.; Lokanath, N. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o341 - o342
• a: 8.2674 ± 0.0003 Å
• b: 10.0529 ± 0.0004 Å
• c: 10.0562 ± 0.0004 Å
• α: 101.193 ± 0.002°
• β: 108.616 ± 0.002°
• γ: 98.741 ± 0.002°
• Cell volume: 756.14 ± 0.05 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0493
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1245
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes