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Information card for entry 2240962
Preview
| Coordinates | 2240962.cif |
|---|---|
| Structure factors | 2240962.hkl |
| Original paper (by DOI) | HTML |
| Common name | 2,4-dihydroxy-6-methylacetophenone |
|---|---|
| Chemical name | 1-(2,4-Dihydroxy-6-methylphenyl)ethanone |
| Formula | C9 H10 O3 |
| Calculated formula | C9 H10 O3 |
| SMILES | c1(c(cc(cc1C)O)O)C(=O)C |
| Title of publication | Crystal structure of 1-(2,4-dihydroxy-6-methylphenyl)ethanone |
| Authors of publication | Prabpai, Samran; Kongsaeree, Palangpon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 8 |
| Pages of publication | o612 - o613 |
| a | 7.357 ± 0.0003 Å |
| b | 15.001 ± 0.001 Å |
| c | 7.318 ± 0.0005 Å |
| α | 90° |
| β | 91.017 ± 0.004° |
| γ | 90° |
| Cell volume | 807.5 ± 0.08 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0751 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1318 |
| Weighted residual factors for all reflections included in the refinement | 0.1497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181909 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/09 |
2240962.cif 2240962.hkl |
| 153019 | 2015-08-07 | cif/ hkl/ Adding structures of 2240962 via cif-deposit CGI script. |
2240962.cif 2240962.hkl |
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Users of the data should acknowledge the original authors of the
structural data.