2-Phenyl-8,9,10,11-tetrahydro-1-benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

In the title compound, C17H14N4S, 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 R22(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].

Abstract licence: CC BY

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