Information card for entry 2238912

Structure parameters

• Chemical name: 3,4-Dimethylphenyl quinoline-2-carboxylate
• Formula: C18 H15 N O2
• Calculated formula: C18 H15 N O2
• SMILES: O=C(c1ccc2c(n1)cccc2)Oc1ccc(c(c1)C)C
• Title of publication: 3,4-Dimethylphenyl quinoline-2-carboxylate
• Authors of publication: Fazal, E.; Kaur, Manpreet; Sudha, B. S.; Nagarajan, S.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1853 - o1854
• a: 6.19172 ± 0.00017 Å
• b: 15.4196 ± 0.0004 Å
• c: 14.6585 ± 0.0004 Å
• α: 90°
• β: 90.761 ± 0.003°
• γ: 90°
• Cell volume: 1399.38 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No