A dinuclear oxo-bridged Fe(III) complex with tris(2-pyridylmethyl) amine: Structure and Hirshfeld surface analysis

A dinuclear FeIII complex [{Fe(TPA)Cl}2O](ClO4)2·H2O (1) where TPA is tris(2-pyridylmethyl)amine, has been synthesized and characterized by X-ray structural studies with a detailed analysis of Hirshfeld surfaces and fingerprint plots facilitating a comparison of intermolecular interactions in building different supramolecular architectures. Molecules of (1) are linked by self-complementary hydrogen bonds into two-dimensional framework, whose formation is readily analyzed in terms of substructures of lower dimensionality with finite zero dimensional dimeric units as the building blocks within the structure. The crystal packing is also stabilized by C–H⋯π and π–π stacking interactions and is responsible for the formation and strengthening of three dimensional supramolecular assembly. Investigation of intermolecular interactions and crystal packing via Hirshfeld surface analysis reveals that more than two-thirds of the close contacts are associated with weak interactions. The fingerprint plots demonstrate that these weak interactions are important for both local and crystal packing. A comparison of Hirshfeld surface in the complex with similar structure retrieved from the Cambridge Structural Database (CSD) has been presented.

► Structural elucidation of Fe(III) complex with tris(2-pyridylmethyl)amine.
► Non-covalent interaction.
► Hirshfeld surface.
► Fingerprint plot.