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1-(Thiophen-2-yl)ethanone thiosemicarbazone
The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique molecules in the unit cell, both present as thiosemicarbazide tautomers. The molecules differ principally in the dihedral angles between the thiophene ring planes and the planes through the non-H atoms of the hydrazinecarbothioa...
| Autores principales: | , , , , |
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| Formato: | Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2011
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089127/ https://www.ncbi.nlm.nih.gov/pubmed/21754474 http://dx.doi.org/10.1107/S1600536811011986 |
| Sumario: | The title compound, C(7)H(9)N(3)S(2), crystallizes with two unique molecules in the unit cell, both present as thiosemicarbazide tautomers. The molecules differ principally in the dihedral angles between the thiophene ring planes and the planes through the non-H atoms of the hydrazinecarbothioamide units, viz. 9.80 (8)° for one molecule and 19.37 (7)° for the other. The hydrazinecarbothioamide units are reasonably planar, with r.m.s. deviations of 0.001Å for each of the molecules. In the crystal, N—H⋯S hydrogen bonds link like molecules into R (2) (2)(8) inversion dimers. A three-dimensional network structure is generated by additional N—H⋯S hydrogen bonds and weak C—H⋯S contacts between the unique molecules. |
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