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Information card for entry 2238870
Preview
| Coordinates | 2238870.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 4-Chlorophenyl quinoline-2-carboxylate |
|---|---|
| Formula | C16 H10 Cl N O2 |
| Calculated formula | C16 H10 Cl N O2 |
| SMILES | Clc1ccc(OC(=O)c2nc3c(cc2)cccc3)cc1 |
| Title of publication | 4-Chlorophenyl 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 | o1841 |
| a | 6.38693 ± 0.00018 Å |
| b | 16.8893 ± 0.0005 Å |
| c | 12.2649 ± 0.0004 Å |
| α | 90° |
| β | 103.527 ± 0.003° |
| γ | 90° |
| Cell volume | 1286.32 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0385 |
| Weighted residual factors for significantly intense reflections | 0.0984 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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