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 · 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.

Source: Acta Crystallographica Section E - August 4, 2023 Category: Chemistry Authors: Aliyeva, F.S. Mammadova, G.Z. Akkurt, M. Ç elikesir, S.T. Bhattarai, A. Tags: crystal structure hydrogen bonds three dimensional network — I... π interactions Hirshfeld surface analysis research communications Source Type: research