Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(di-cyano-methyl-idene)hydrazin-1-yl]-2,4,6-tri-iodo-isophthalic acid ethanol monosolvate.

Abstract

The title compound, C11H3I3N4O4·C2H6O, crystallizes in the triclinic P space group with one independent mol-ecule and one ethanol solvent mol-ecule in the asymmetric unit. The benzene ring and the methyl-carbonohydrazonoyl dicyanide group of the main mol-ecule makes a dihedral angle of 57.91 (16)°. In the crystal, O-H⋯O and N-H⋯O hydrogen bonds link pairs of mol-ecules, forming dimers with R 2 2(14) motifs. These dimers are connected by O-H⋯O hydrogen bonds into chains along the a-axis direction, forming R 2 2(16) ring motifs. Further O-H⋯O inter-actions involving the ethanol solvent mol-ecule connect the chains into a three-dimensional network. In addition, C-I⋯π inter-actions are observed. The inter-molecular inter-actions in the crystal structure were qu-anti-fied and analysed using Hirshfeld surface analysis.