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Information card for entry 2006437
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| Coordinates | 2006437.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | S-methyl-(-N-(dimethylaminophenyl)-methylenedithiocarbazate |
|---|---|
| Formula | C11 H15 N3 S2 |
| Calculated formula | C11 H15 N3 S2 |
| SMILES | S=C(SC)NN=Cc1ccc(N(C)C)cc1 |
| Title of publication | <i>S</i>-Methyl β-<i>N</i>-[4-(Dimethylamino)benzylidene]dithiocarbazate |
| Authors of publication | Cun-Yuan Zhao; Chun-Ying Duan; Yu-Peng Tian; Xiao-Zeng You; Thomas C. W. Mak |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 8 |
| Pages of publication | 1151 - 1153 |
| a | 8.364 ± 0.002 Å |
| b | 12.684 ± 0.003 Å |
| c | 12.224 ± 0.002 Å |
| α | 90° |
| β | 92.36 ± 0.03° |
| γ | 90° |
| Cell volume | 1295.7 ± 0.5 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0561 |
| Residual factor for significantly intense reflections | 0.0789 |
| Weighted residual factors for all reflections | 0.0803 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Goodness-of-fit parameter for all reflections | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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