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

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.

SUBMITTER: Joekar D 

PROVIDER: S-EPMC10561195 | biostudies-literature | 2023 Oct

REPOSITORIES: biostudies-literature

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

Joekar Delara D   Hiscock Lana K LK   Dawe Louise N LN  

Acta crystallographica. Section E, Crystallographic communications 20230919 Pt 10

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 (<sup>1</sup>H and <sup>13</sup>C NMR), and structural analysis (single-crystal X-ray diffr  ...[more]

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