Crystal structure and Hirshfeld surface analysis of 1-(2-fluorophenyl)-1H-tetrazole-5(4H)-thione

Abstract

<jats:p>In the crystal of the title compound, C<jats:sub>7</jats:sub>H<jats:sub>5</jats:sub>FN<jats:sub>4</jats:sub>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 <jats:italic>R</jats:italic> <jats:sup>2</jats:sup> <jats:sub>2</jats:sub>(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.</jats:p>

Crystal structure and Hirshfeld surface analysis of 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one

“…In a continuation of our investigations of heterocyclic systems with biological activity and in the framework of ongoing structural studies (Maharramov et al, 2011a;Askerov et al, 2020;Karimli et al, 2023), we report here the crystal structure and Hirshfeld surface analysis of the title compound, 1-(2-amino-4-methyl-1,3-thiazol-5-yl)ethan-1-one.…”

Crystal structure and Hirshfeld surface analysis of 2-amino-5-{(1E)-1-[(carbamothioylamino)imino]ethyl}-4-methyl-1,3-thiazol-3-ium chloride monohydrate

“…In a continuation of our structural investigations of heterocyclic systems associated with biological activities (Akkurt et al, 2018;Askerov et al, 2020;Karimli et al, 2023), we report here the crystal structure and Hirshfeld surface analysis of the hydrated title salt, C 7 H 12 N 5 S 2…”

Synthesis and antiproliferative activity of 3-aryl-5-{[(1-aryl-1h-tetrazol-5-yl)thio]methyl}-1,2,4-oxadiazoles

“…Для всіх сполук отримано задовільні значення елементного аналізу (С, Н, N). Константи сполук 3 відповідають літературним даним: 3a - [17]; 3b - [18]; 3c - [19] та 3d - [20]. Derivatives of 5-mercapto-1H-tetrazole have long attracted the attention of researchers as promising groups for introduction into drug-like molecules within the concept of fragment-oriented drug design.…”