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Information card for entry 8101579
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| Coordinates | 8101579.cif |
|---|
| Formula | C15 H12 Cl2 O2 |
|---|---|
| Calculated formula | C15 H12 Cl2 O2 |
| SMILES | Clc1c(C(O)C(=O)c2c(C)cccc2)c(Cl)ccc1 |
| Title of publication | Crystal structure of 1-(2',6'-dichlorophenyl)-1-hydroxy-2-o-toluyl- ethane-2-one, C~15~H~12~Cl~2~O~2~ |
| Authors of publication | Kakou-Yao, R.; Degny, E.; Ebby, N.; Aycard, J. P. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 4 |
| Pages of publication | 485 - 486 |
| a | 7.534 ± 0.001 Å |
| b | 16.23 ± 0.001 Å |
| c | 11.911 ± 0.001 Å |
| α | 90 ± 0.001° |
| β | 108.382 ± 0.001° |
| γ | 90 ± 0.001° |
| Cell volume | 1382.1 ± 0.4 Å3 |
| Cell temperature | 298 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 | 0.058 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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