Crystal structure of 1-methyl-2,4,5-triiodoimidazole: Formation of a triangular trimer through halogen bonding

Abstract

Halogen bonding in a 1-methyl-2,4,5-triiodoimidazole crystal was investigated. This compound crystallizes in a monoclinic, space group C2/c, with cell parameters: a = 16.7627(17)Å, b = 14.8566(14)Å, c = 22.350(2)Å, β = 101.2380(10)̊, V = 5459.0(9)Å3, and Z = 24. The crystal structure was solved by a direct method and refined by fullmatrix least-squares to a final R value 0.0316 with I > 2σ(I). The three molecules formed a triangular trimer through three intermolecular halogen bonds between the 2-iodide groups and the 3-nitrogens. © The Japan Society for Analytical Chemistry.