Synthesis, crystal structure and Hirshfeld surface analysis of 5-[2-(dicyanomethylidene)hydrazin-1-yl]-2,4,6-triiodoisophthalic acid ethanol monosolvate

Abstract

The title compound, C11H3I3N4O4·C2H6O, crystallizes in the triclinic P\overline{1} space group with one independent molecule and one ethanol solvent molecule in the asymmetric unit. The benzene ring and the methylcarbonohydrazonoyl dicyanide group of the main molecule makes a dihedral angle of 57.91 (16)°. In the crystal, O—H...O and N—H...O hydrogen bonds link pairs of molecules, forming dimers with R22(14) motifs. These dimers are connected by O—H...O hydrogen bonds into chains along the a-axis direction, forming R22(16) ring motifs. Further O—H...O interactions involving the ethanol solvent molecule connect the chains into a three-dimensional network. In addition, C—I...π interactions are observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.

Keywords

• crystal structure
• hydrogen bonds
• three dimensional network
• c—i...π interactions
• hirshfeld surface analysis