Halide binding and self-assembling behavior of Triazole-based acyclic and cyclic molecules

The present study demonstrates the use of triazole moiety in designing molecules endowed with the ability for self-assembly and molecular recognition. The receptors 7a and 9a having open structures bind to fluoride ion with good affinity. Various cyclophanes with 19-, 20-, 21-, 38-, and 40-membered rings containing triazole units were designed and synthesized. X-ray crystal structure of macrocycle 16 showed a tubular like architecture. Triazolophane 22 possesses bifurcated CH⋯N intramolecular hydrogen bonds and it further organizes in the solid state using CH⋯N interactions. Triazole based compounds are potential store house for exploiting CH⋯O and CH⋯N hydrogen bonding interactions for molecular self-assembly.