Information card for entry 2200546

Structure parameters

• Chemical name: 2-(2-pyridyl)-4-methylcarboxyquinoline
• Formula: C16 H12 N2 O2
• Calculated formula: C16 H12 N2 O2
• SMILES: n1c(cc(c2ccccc12)C(=O)OC)c1ncccc1
• Title of publication: Methyl 2-(2-pyridyl)quinoline-4-carboxylate
• Authors of publication: Farah, Abdiaziz A.; Pietro, William J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 8
• Pages of publication: o677 - o678
• a: 29.332 ± 0.003 Å
• b: 3.8551 ± 0.0002 Å
• c: 11.0753 ± 0.0011 Å
• α: 90°
• β: 99.341 ± 0.003°
• γ: 90°
• Cell volume: 1235.76 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes