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Information card for entry 2003650
Preview
| Coordinates | 2003650.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H12 Cl2 N2 O |
|---|---|
| Calculated formula | C14 H12 Cl2 N2 O |
| SMILES | Clc1c2c(nc(c1)C(=C\N(C)C)/C=O)cc(Cl)cc2 |
| Title of publication | An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal |
| Authors of publication | Mague, J. T.; De, D.; Krogstad, D. J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 7 |
| Pages of publication | 1423 - 1425 |
| a | 8.2796 ± 0.0009 Å |
| b | 8.644 ± 0.001 Å |
| c | 11.336 ± 0.001 Å |
| α | 97.84 ± 0.01° |
| β | 104.36 ± 0.01° |
| γ | 115.03 ± 0.01° |
| Cell volume | 684.7 ± 0.16 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Goodness-of-fit parameter for significantly intense reflections | 1.56 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.