Crystal structure of 2-{[5-(methyl-sulfan-yl)-4-phenyl-4 H-1,2,4-triazol-3-yl]meth-yl}benzo[ d]thia-zole

Rasha A Azzam; Galal H Elgemeie; Heba A Elboshi; Peter G Jones

doi:10.1107/S2056989023007041

Crystal structure of 2-{[5-(methyl-sulfan-yl)-4-phenyl-4 H-1,2,4-triazol-3-yl]meth-yl}benzo[ d]thia-zole

Acta Crystallogr E Crystallogr Commun. 2023 Aug 23;79(Pt 9):817-820. doi: 10.1107/S2056989023007041. eCollection 2023 Sep 1.

Authors

Rasha A Azzam¹, Galal H Elgemeie¹, Heba A Elboshi¹, Peter G Jones²

Affiliations

¹ Chemistry Department, Faculty of Science, Helwan University, Cairo, Egypt.
² Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, Germany.

Abstract

In the structure of the title compound, C₁₇H₁₄N₄O₂, the triazole ring exhibits inter-planar angles of 63.86 (2) and 76.96 (2)° with the phenyl and benzo-thia-zole planes, respectively. The C-C-C angle at the methyl-ene 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 [inter-planar distance of 3.1852 (2) Å].

Keywords: benzothiazole; crystal structure; thioether; triazole.