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Information card for entry 2000492
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| Coordinates | 2000492.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C19 H16 N2 O2 S3 |
|---|---|
| Calculated formula | C19 H16 Br N2 O2 S3 |
| Title of publication | Regioselective pyrazine ring reduction of 4-(quinoxalin-2-yl)-1,3-dithiole-2-thione |
| Authors of publication | Beddoes, R. L.; Russell, J. R.; Garner, C. D.; Joule, J. A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1992 |
| Journal volume | 48 |
| Journal issue | 11 |
| Pages of publication | 2075 - 2078 |
| a | 12.073 ± 0.002 Å |
| b | 13.562 ± 0.002 Å |
| c | 6.2527 ± 0.0005 Å |
| α | 101.05 ± 0.09° |
| β | 103.38 ± 0.08° |
| γ | 70.76 ± 0.01° |
| Cell volume | 932.9 ± 0.4 Å3 |
| Cell temperature | 296 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.066 |
| Goodness-of-fit parameter for significantly intense reflections | 2.42 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.