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

Acta Crystallogr E Crystallogr Commun. 2024 Jan 1;80(Pt 1):78-82. doi: 10.1107/S2056989023010873.

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.

Keywords: 2-methyl­pyridyl­lithium; 2-picolyllithium; Hirshfeld surface analysis; crystal structure.

Grants and funding

Funding for this research was provided by scholarships from the Fonds der Chemischen Industrie and Studienstiftung des Deutschen Volkes to AS.