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Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.


ABSTRACT: In the title compound, (2-methyl-idene-1,2-di-hydro-pyridinium-κN)tris-(tetra-hydro-furan-κO)lithium, [Li(C6H6N)(C4H8O)3], the lithium ion adopts a distorted LiNO3 tetra-hedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. A methyl-ene group of one of the thf ligands is disordered over two orientations. In the crystal, a weak C-H⋯O inter-action generates inversion dimers. A Hirshfeld surface analysis shows that H⋯H contacts dominate the packing (86%) followed by O⋯H/H⋯O and C⋯H/H⋯C contacts, which contribute 3% and 10.4%, respectively.

SUBMITTER: Mairath T 

PROVIDER: S-EPMC10833367 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature

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Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.

Mairath Tristan T   Schmidt Annika A   Strohmann Carsten C  

Acta crystallographica. Section E, Crystallographic communications 20240101 Pt 1


In the title compound, (2-methyl-idene-1,2-di-hydro-pyridinium-κ<i>N</i>)tris-(tetra-hydro-furan-κ<i>O</i>)lithium, [Li(C<sub>6</sub>H<sub>6</sub>N)(C<sub>4</sub>H<sub>8</sub>O)<sub>3</sub>], the lithium ion adopts a distorted LiNO<sub>3</sub> tetra-hedral coordination geometry and the 2-picolyl anion adopts its enamido form with the lithium ion lying close to the plane of the pyridine ring. A methyl-ene group of one of the thf ligands is disordered over two orientations. In the crystal, a weak  ...[more]

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