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Information card for entry 2002099
Preview
| Coordinates | 2002099.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C15 H16 N4 O |
|---|---|
| Calculated formula | C15 H16 N4 O |
| SMILES | CCc1nnc(n1c1cc(C)cc(n1)C)c1ccco1 |
| Title of publication | 4-(4,6-Diméthylpyrid-2-yl)-5-éthyl-3-(furan-2-yl)-4<i>H</i>-1,2,4-triazole |
| Authors of publication | Rodier, N.; Robert, J.-M.; Le Baut, G. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1993 |
| Journal volume | 49 |
| Journal issue | 1 |
| Pages of publication | 161 - 163 |
| a | 16.22 ± 0.004 Å |
| b | 9.763 ± 0.0007 Å |
| c | 18.325 ± 0.002 Å |
| α | 90° |
| β | 99.81 ± 0.01° |
| γ | 90° |
| Cell volume | 2859.4 ± 0.8 Å3 |
| Cell temperature | 293 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Goodness-of-fit parameter for significantly intense reflections | 1.43 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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.