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Information card for entry 2200342
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| Coordinates | 2200342.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C19 H17 N S2 |
|---|---|
| Calculated formula | C19 H17 N S2 |
| SMILES | c1cc(CSc2ccccc2)nc(c1)CSc1ccccc1 |
| Title of publication | 2,6-Bis(phenylthiomethyl)pyridine |
| Authors of publication | Tolhurst, Vicki-Anne; Ball, Rachel J.; Genge, Anthony R. J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 5 |
| Pages of publication | o392 - o393 |
| a | 10.165 ± 0.002 Å |
| b | 10.365 ± 0.002 Å |
| c | 9.053 ± 0.002 Å |
| α | 112.93 ± 0.01° |
| β | 100.12 ± 0.02° |
| γ | 102.37 ± 0.01° |
| Cell volume | 821.7 ± 0.3 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0407 |
| Goodness-of-fit parameter for significantly intense reflections | 3.021 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| 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.