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Information card for entry 2203241
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| Coordinates | 2203241.cif |
|---|---|
| Structure factors | 2203241.hkl |
| Original IUCr paper | HTML |
| Common name | 3-cyano-4,6-dimethyl-2-pyridone |
|---|---|
| Formula | C8 H8 N2 O |
| Calculated formula | C8 H8 N2 O |
| SMILES | [nH]1c(=O)c(C#N)c(C)cc1C |
| Title of publication | 3-Cyano-4,6-dimethyl-2-pyridone (Guareschi pyridone) |
| Authors of publication | Victor B. Rybakov; Alexander A. Bush; Eugene V. Babaev; Leonid A. Aslanov |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | o160 - o161 |
| a | 3.975 ± 0.004 Å |
| b | 7.417 ± 0.004 Å |
| c | 12.82 ± 0.008 Å |
| α | 76.36 ± 0.04° |
| β | 88.54 ± 0.04° |
| γ | 88.62 ± 0.04° |
| Cell volume | 367.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0838 |
| Residual factor for significantly intense reflections | 0.0468 |
| Weighted residual factors for significantly intense reflections | 0.1148 |
| Weighted residual factors for all reflections included in the refinement | 0.138 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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