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2-Phenyl-8,9,10,11-tetrahydro-1-benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclohexane ring adopts a half-chai...
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/PMC3099952/ https://www.ncbi.nlm.nih.gov/pubmed/21754069 http://dx.doi.org/10.1107/S1600536811007331 |
Sumario: | In the title compound, C(17)H(14)N(4)S, the benzothieno moiety is fused at one end of the pyramidine ring while the triazole ring with a phenyl substituent is fused at the other side. The triazole ring is almost planar [maximum deviation = 0.0028 (3) Å] while the cyclohexane ring adopts a half-chair conformation. In the crystal, pairs of intermolecular C—H⋯N hydrogen bonds form centrosymmetric head-to-head dimers, corresponding to an R (2) (2)(8) graph-set motif. Further C—H⋯N interactions generate a zigzag chain of molecules along the c axis. The supramolecular assembly is consolidated by π–π stacking interactions [centroid–centroid distance = 3.445 (4) Å]. |
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