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Information card for entry 2011047
Preview
| Coordinates | 2011047.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2-hydroxy-4,6-dimethylacetophenone |
|---|---|
| Chemical name | 2-hydroxy-4,6-dimethylphenylethanone |
| Formula | C10 H12 O2 |
| Calculated formula | C10 H12 O2 |
| SMILES | O=C(c1c(O)cc(cc1C)C)C |
| Title of publication | 1-(2-Hydroxy-4,6-dimethylphenyl)ethanone |
| Authors of publication | Armelao, Lidia; Depaoli, Giovanni; Dolmella, Alessandro |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e268 - e268 |
| a | 7.431 ± 0.004 Å |
| b | 7.604 ± 0.003 Å |
| c | 16.007 ± 0.006 Å |
| α | 93.61 ± 0.03° |
| β | 95.5 ± 0.04° |
| γ | 99.89 ± 0.04° |
| Cell volume | 884 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.11 |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for all reflections | 0.147 |
| Weighted residual factors for significantly intense reflections | 0.126 |
| Goodness-of-fit parameter for all reflections | 0.913 |
| Goodness-of-fit parameter for significantly intense reflections | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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