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Information card for entry 2011428
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| Coordinates | 2011428.cif |
|---|---|
| Structure factors | 2011428.hkl |
| Original IUCr paper | HTML |
| Chemical name | trans-cis S-Benzyl dithiocarbazate |
|---|---|
| Formula | C8 H10 N2 S2 |
| Calculated formula | C8 H10 N2 S2 |
| SMILES | S(Cc1ccccc1)C(=S)NN |
| Title of publication | <i>trans</i>–<i>cis</i> <i>S</i>-Benzyl dithiocarbazate |
| Authors of publication | Shanmuga Sundara Raj, S.; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Tarafder, M. T. H.; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1236 - 1237 |
| a | 19.7221 ± 0.0009 Å |
| b | 4.8605 ± 0.0002 Å |
| c | 10.2699 ± 0.0005 Å |
| α | 90° |
| β | 97.121 ± 0.001° |
| γ | 90° |
| Cell volume | 976.87 ± 0.08 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.075 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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