{"database":"biostudies-literature","file_versions":[],"scores":null,"additional":{"omics_type":["Unknown"],"volume":["80(Pt 1)"],"submitter":["Mairath T"],"funding":["Studienstiftung des Deutschen Volkes","Fonds der Chemischen Industrie"],"pubmed_abstract":["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 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."],"journal":["Acta crystallographica. Section E, Crystallographic communications"],"pagination":["78-82"],"full_dataset_link":["https://www.ebi.ac.uk/biostudies/studies/S-EPMC10833367"],"repository":["biostudies-literature"],"pubmed_title":["Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf."],"pmcid":["PMC10833367"],"pubmed_authors":["Schmidt A","Mairath T","Strohmann C"],"additional_accession":[]},"is_claimable":false,"name":"Crystal structure and Hirshfeld surface analysis of 2-picolyllithium·3thf.","description":"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 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.","dates":{"release":"2024-01-01T00:00:00Z","publication":"2024 Jan","modification":"2026-07-01T03:23:54.082Z","creation":"2025-04-05T20:40:34.909Z"},"accession":"S-EPMC10833367","cross_references":{"pubmed":["38312150"],"doi":["10.1107/S2056989023010873"]}}