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Information card for entry 2202231
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| Coordinates | 2202231.cif |
|---|---|
| Structure factors | 2202231.hkl |
| Original IUCr paper | HTML |
| Chemical name | N-(1-thiophene-2-yl-ethylidene)-hydrazinecarbodithioic acid benzyl ester |
|---|---|
| Formula | C14 H14 N2 S3 |
| Calculated formula | C14 H14 N2 S3 |
| SMILES | S(Cc1ccccc1)C(=S)N\N=C(c1sccc1)/C |
| Title of publication | Benzyl <i>N</i>-[1-(thiophen-2-yl)ethylidene)]hydrazinecarbodithioate |
| Authors of publication | Chan, Mun Hoe Eddy; Crouse, Karen A.; Tarafder, M. T. H.; Yamin, Bohari. M. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2003 |
| Journal volume | 59 |
| Journal issue | 5 |
| Pages of publication | o628 - o629 |
| a | 7.8297 ± 0.0013 Å |
| b | 9.8086 ± 0.0016 Å |
| c | 11.031 ± 0.0018 Å |
| α | 65.369 ± 0.003° |
| β | 75.843 ± 0.003° |
| γ | 77.15 ± 0.003° |
| Cell volume | 739.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.109 |
| Weighted residual factors for all reflections included in the refinement | 0.113 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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