Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1<i>H</i>-tetrazole-5(4<i>H</i>)-thione
Р.К. Аскеров, Abel M. Maharramov, Ali N. Khalilov, Mehmet Akkurt, Anzurat A. Akobirshoeva, В. К. Османов, А. В. Борисов
Abstract
In the crystal of the title compound, C 7 H 5 FN 4 S, the molecules are non-planar, with dihedral angle formed by least-squares planes of tetrazole and benzene rings of 59.94 (8) °. The crystal packing is formed by N—H...S hydrogen bonds, which link the molecules into centrosymmetric dimers with an R 2 2 (8) ring motif, and by the offset face-to-face π–π stacking interactions between the benzene rings, which join the dimers into layers parallel to (100). The Hirshfeld surface analysis shows that the most important contributions to the surface contacts are from N...H/H...N (21.9%), S...H/H...S (21.1%), H...H (14.6%), F...H/H...F (11.8%) and C...H/H...C (9.5%) interactions.