Askerov Rizvan K, Maharramov Abel M, Khalilov Ali N, Akkurt Mehmet, Akobirshoeva Anzurat A, Osmanov V K, Borisov A V
Organic Chemistry Department, Baku State University, Z. Xalilov str. 23, Az, 1148 Baku, Azerbaijan.
Department of Physics and Chemistry, "Composite Materials" Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Az 1063, Baku, Azerbaijan.
Acta Crystallogr E Crystallogr Commun. 2020 Jun 5;76(Pt 7):1007-1011. doi: 10.1107/S2056989020007033. eCollection 2020 Jul 1.
In the crystal of the title compound, CHFNS, the mol-ecules are non-planar, with dihedral angle formed by least-squares planes of tetra-zole and benzene rings of 59.94 (8) °. The crystal packing is formed by N-H⋯S hydrogen bonds, which link the mol-ecules into centrosymmetric dimers with an (8) ring motif, and by the offset face-to-face π-π stacking inter-actions 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%) inter-actions.
在标题化合物CHFNS的晶体中，分子是非平面的，四唑环和苯环的最小二乘平面形成的二面角为59.94 (8)°。晶体堆积由N—H⋯S氢键形成，该氢键将分子连接成具有(8)环基序的中心对称二聚体，并且由苯环之间的错位面对面π–π堆积相互作用形成，这些相互作用将二聚体连接成平行于(100)的层。 Hirshfeld表面分析表明，对表面接触最重要的贡献来自N⋯H/H⋯N（21.9%）、S⋯H/H⋯S（21.1%）、H⋯H（14.6%）、F⋯H/H⋯F（11.8%）和C⋯H/H⋯C（9.5%）相互作用。
