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Information card for entry 2003241
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| Coordinates | 2003241.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 2-chloro-6-dimethylamino-3,5-diformylpyridine |
|---|---|
| Formula | C9 H9 Cl N2 O2 |
| Calculated formula | C9 H9 Cl N2 O2 |
| SMILES | O=Cc1cc(C=O)c(nc1N(C)C)Cl |
| Title of publication | 2-Chloro-6-dimethylamino-3,5-pyridine-dicarbaldehyde |
| Authors of publication | Lai, L.-L.; Liu, L.-K.; Shiao, M.-J.; Wen, Y.-S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1995 |
| Journal volume | 51 |
| Journal issue | 3 |
| Pages of publication | 517 - 519 |
| a | 7.162 ± 0.001 Å |
| b | 7.417 ± 0.001 Å |
| c | 9.469 ± 0.002 Å |
| α | 69.27 ± 0.02° |
| β | 93.79 ± 0.02° |
| γ | 92.41 ± 0.02° |
| Cell volume | 469.31 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 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 all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.037 |
| Goodness-of-fit parameter for significantly intense reflections | 1.95 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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