Racemic cis -bis-[bis-(pyrimidin-2-yl)amine-κ N ]bis(dicyanamido-κ N 1 )iron(II) dihydrate: synthesis, crystal structure and Hirshfeld surface analysis.

The title compound, [Fe(C ₂ N ₃ ) ₂ (C ₈ H ₇ N ₅ ) ₂ ]·2H ₂ O, has been synthesized solvothermally and characterized by single-crystal X-ray diffraction. The octa-hedral iron coordination polyhedron contains two di(pyrimidin-2-yl)amine ligands coordinated in a bidentate fashion, and two monodentate dicyanimido ligands, each coordinated via a terminal N atom, with the latter in a cis orientation. The ligand configuration about the iron atom is chiral, although the compound crystallizes as a racemic mixture: the Fe-N distances (> 2.07 Å) are characteristic of high-spin iron(II). In the crystal, an extensive series of N-H⋯N, O-H⋯N and O-H⋯O hydrogen bonds links the independent mol-ecular components into a three-dimensional framework. The H atoms of both water mol-ecules are disordered. The structure also features some π-π and anion-π inter-actions. The inter-molecular inter-actions were investigated by Hirshfeld surface analysis and two-dimensional fingerprint plots. Comparisons are made with some related compounds.
(© Saadallah et al. 2023.)