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3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione
The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent molecules. The thiophene ring of one molecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One molecule is almost planar and the other one...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009062/ https://www.ncbi.nlm.nih.gov/pubmed/21589044 http://dx.doi.org/10.1107/S1600536810041152 |
Sumario: | The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent molecules. The thiophene ring of one molecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One molecule is almost planar and the other one is twisted, the dihedral angles between the thiophene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intramolecular C—H⋯S hydrogen bond stabilizes the molecular conformation of the planar molecule. In the crystal, the two molecules are interconnected by N—H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C—H⋯N hydrogen bonds. Weak C–H⋯π and π–π interactions [centroid–centroid distance = 3.5149 (7) Å] are also observed. |
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