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

3-二茂铁基-1-(吡啶-2-基)-1H-吡唑-5-胺的合成、晶体结构及 Hirshfeld 表面分析

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作者:Delara Joekar, Lana K Hiscock, Louise N Dawe

Abstract

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)-1H-pyrazol-5-amine, [Fe(C5H5)(C13H11N4)]. 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.

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