Synthesis, crystal structure and theoretical studies of 1-sulfonyl-1,2,3-triazole derivatives

The first crystal structures of 1-sulfonyl-1,2,3-triazoles are described and studied by X-ray diffraction anal-yses. The referred compounds displayed C-H middotmiddotmiddotO and C-H middotmiddotmiddotN interactions on 1,2,3-triazole moiety, which are involved in a zigzag arrangement along the edge plane observed in these structures. The sulfonyl group has a high electrophilic character, which is increased by electronegative atoms, and is likely the cause of the sulfonyl group's significant reactivity compared to other five-membered heterocyclic rings, according to theoretical studies of molecular and electronic properties determined on 1-sulfonyl-1,2,3-triazoles.(c) 2022 Elsevier B.V. All rights reserved.