Information card for entry 2236235

Structure parameters

• Common name: 2-<i>p</i>-tolylquinoline-4-carboxylic acid
• Chemical name: 2-(4-Methylphenyl)quinoline-4-carboxylic acid
• Formula: C17 H13 N O2
• Calculated formula: C17 H13 N O2
• SMILES: Cc1ccc(cc1)c1nc2ccccc2c(c1)C(=O)O
• Title of publication: 2-(4-Methylphenyl)quinoline-4-carboxylic acid
• Authors of publication: Al-Qawasmeh, Raed A.; A. Khanfar, Monther; H. Abu Zarga, Musa; A. AlDamen, Murad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2892
• a: 4.1001 ± 0.0006 Å
• b: 15.3464 ± 0.0011 Å
• c: 20.3037 ± 0.0017 Å
• α: 90°
• β: 90.859 ± 0.009°
• γ: 90°
• Cell volume: 1277.4 ± 0.2 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes