Information card for entry 2239015

Structure parameters

• Common name: 2,5-dimethylphenyl quinoline-2-carboxylate
• Chemical name: 2,5-Dimethylphenyl quinoline-2-carboxylate
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: Cc1ccc(c(c1)OC(=O)c1ccc2c(n1)cccc2)C
• Title of publication: 2,5-Dimethylphenyl quinoline-2-carboxylate
• Authors of publication: Fazal, E.; Kaur, Manpreet; Jasinski, Jerry P.; Nagarajan, S.; Sudha, B. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: o147
• a: 8.2261 ± 0.0003 Å
• b: 11.6007 ± 0.0005 Å
• c: 14.5738 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1390.76 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes