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Information card for entry 2200546
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| Coordinates | 2200546.cif |
|---|---|
| Structure factors | 2200546.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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