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Information card for entry 2008351
Preview
| Coordinates | 2008351.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | 2,3-Dicyano-1,4-dihydroxybenzene |
|---|---|
| Formula | C8 H2 Cl2 N2 O2 |
| Calculated formula | C8 H2 Cl2 N2 O2 |
| SMILES | Clc1c(Cl)c(O)c(c(c1O)C#N)C#N |
| Title of publication | Redetermination of 2,3-dichloro-5,6-dicyano-1,4-dihydroxybenzene |
| Authors of publication | Hoshina, Gakuse; Ohba, Shigeru; Tsuchimoto, Masanobu |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 4 |
| Pages of publication | 592 - 594 |
| a | 16.38 ± 0.003 Å |
| b | 6.536 ± 0.002 Å |
| c | 8.514 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 911.5 ± 0.4 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.038 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.991 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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