Crystal structure of 2-{[5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzo[d]thiazole

In the structure of the title compound, C17H14N4O2, the triazole ring exhibits interplanar angles of 63.86   (2) and 76.96   (2) ° with the phenyl and benzothiazole planes, respectively. The C — C — C angle at the methylene group is rather wide at 114.28   (4) ° . The packing involves three borderline C — H...N contacts, two of which combine to form layers parallel to ac, and a pairing of the triazole rings across an inversion centre [interplanar distance of 3.1852   (2)   Å ].

Source: Acta Crystallographica Section E - August 23, 2023 Category: Chemistry Authors: Azzam, R.A. Elgemeie, G.H. Elboshi, H.A. Jones, P.G. Tags: crystal structure triazole benzothiazole thioether research communications Source Type: research