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Information card for entry 2010333
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| Coordinates | 2010333.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C13 H14 N4 O |
|---|---|
| Calculated formula | C13 H14 N4 O |
| SMILES | Cc1ncc(nc1)C(=O)Nc1cc(C)cc(n1)C |
| Title of publication | <i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide |
| Authors of publication | Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 1960 - 1962 |
| a | 7.85 ± 0.003 Å |
| b | 23.17 ± 0.01 Å |
| c | 7.212 ± 0.003 Å |
| α | 90° |
| β | 110.64 ± 0.03° |
| γ | 90° |
| Cell volume | 1227.6 ± 0.9 Å3 |
| Cell temperature | 273 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 significantly intense reflections | 0.056 |
| Weighted residual factors for significantly intense reflections | 0.054 |
| Goodness-of-fit parameter for significantly intense reflections | 1.445 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKážą |
| 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.