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

The title compound, C11H3I3N4O4 center dot C2H6O, crystallizes in the triclinic P (1) over bar 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)degrees. In the crystal, O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bonds link pairs of molecules, forming dimers with R-2(2) (14) motifs. These dimers are connected by O-H center dot center dot center dot O hydrogen bonds into chains along the a-axis direction, forming R22 (16) ring motifs. Further O-H center dot center dot center dot O interactions involving the ethanol solvent molecule connect the chains into a three-dimensional network. In addition, C-I center dot center dot center dot pi interactions are observed. The intermolecular interactions in the crystal structure were quantified and analysed using Hirshfeld surface analysis.

Automated summary

The title compound crystallizes in the triclinic space group P(1) with one independent molecule and one ethanol solvent molecule. The crystal exhibits hydrogen bonding and dimer motifs, as well as C-I···π interactions.