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

•The crystal structure of the first 1-sulfonyl-1,2,3-triazoles derivatives was determined by and analyzed by single-crystal X-ray diffraction studies.•C–H···O and C–H···N interactions in 1-sulfonyl-1,2,3-triazoles promote a zigzag arrangement along the edge plane which define the crystal network.•The theoretical studies suggest that sulfonyl group exhibits a major reactivity compared to other five-membered heterocyclic rings.