Synthesis, crystal structure, and Hirshfeld surface analysis of 3-ferrocenyl-1-(pyridin-2-yl)-1 H -pyrazol-5-amine.

A key step towards utilizing polynuclear metal-based systems in magnetic device applications involves the careful design of ligands. This strategic planning aims to produce metal assemblies that exhibit some kind of 'switch' mechanism. Towards this end, a ligand that incorporates a redox-active functional group (ferrocene) is reported. This communication presents the multi-step synthesis, characterization ( 1 H and 13 C NMR), and structural analysis (single-crystal X-ray diffraction and Hirshfeld surface analysis) of 3-ferrocenyl-1-(pyridin-2-yl)-1 H -pyrazol-5-amine, [Fe(C 5 H 5 )(C 13 H 11 N 4 )]. Supra-molecular features, including π-π stacking and hydrogen bonding are qu-anti-fied, while a database search reveals the unique combination of mol-ecular moieties, which offer future opportunities for studies to involve simultaneous Lewis acid and base coordin-ation.