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Crystal structure of 4-[(E)-(4-fluorobenzylidene)amino]-3-methyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C(10)H(9)FN(4)S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond,...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719876/ https://www.ncbi.nlm.nih.gov/pubmed/26870523 http://dx.doi.org/10.1107/S2056989015020125 |
Sumario: | The title compound, C(10)H(9)FN(4)S, crystallizes with two molecules (A and B) in the asymmetric unit. The dihedral angle between the planes of the trizole and fluorobenzene rings is 7.3 (3)° in molecule A and 41.1 (3)° in molecule B. Molecule A features an intramolecular C—H⋯S hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N—H⋯S hydrogen bonds occur, generating R (2) (2)(8) loops. Weak π–π stacking contacts [centroid–centroid separation = 3.739 (6) Å] are also observed. |
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