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

Autor: Joekar, Delara, Hiscock, Lana K., Dawe, Louise N.
Předmět:
Zdroj: Acta Crystallographica Section E: Crystallographic Communications; Oct2023, Vol. 79 Issue 10, p926-930, 11p
Abstrakt: 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 (¹H and 13C NMR), and structural analysis (single-crystal X-ray diffraction and Hirshfeld surface analysis) of 3-ferrocenyl-1-(pyridin-2-yl)-1Hpyrazol-5-amine, [Fe(C5H5)(C13H11N4)]. Supramolecular features, including π--π stacking and hydrogen bonding are quantified, while a database search reveals the unique combination of molecular moieties, which offer future opportunities for studies to involve simultaneous Lewis acid and base coordination. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index