Crystal structure of a three-coordinate lithium complex with monodentate phenyloxazoline and hexamethyldisilylamide ligands

Bibliographic Data

ID23547263
AuthorsJosé Severiano Carneiro Neto, Eduardo Mariano Iwaya (0000-0002-3383-0866), Francielli Sousa Santana (0000-0003-4570-3044), Jaísa Fernandes Soares (0000-0002-2775-131X)
Year2024
Volume80
Issue6
Pages620-624
Publication date2024-06-01
Peer ReviewedYes
Open AccessYes
TypeARTICLE
VenueActa Crystallographica Section E Crystallographic Communications (JOURNAL)
Journal identifiersISSN: 2056-9890 • E-ISSN: 2056-9890
PublisherInternational Union of Crystallography (IUCr) (PUBLISHER)
DOI10.1107/s2056989024004237
OpenAlexW38845724
LanguageEN
Citations received17
References cited42

The reaction of lithium hexamethyldisilylamide, [Li{N(Si(CH 3 ) 3 ) 2 }] (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox, C 11 H 13 NO) in hexane produced colourless crystals of bis(4,4-dimethyl-2-phenyl-2-oxazoline-κ N )(hexamethyldisilylamido-κ N )lithium, [Li(C 6 H 18 NSi 2 )(C 11 H 13 NO) 2 ] or [Li{N(Si(CH 3 ) 3 ) 2 }(Phox) 2 ] in high yield (89%). Despite the 1:1 proportion of the starting materials in the reaction mixture, the product formed with a 1:2 amide:oxazoline ratio. In the unit cell of the C 2/ c space group, the neutral molecules lie on twofold rotation axes coinciding with the Li—N(amide) bonds. The lithium(I) centre adopts a trigonal–planar coordination geometry with three nitrogen donor atoms, one from the HMDS anion and two from the oxazolines. All ligands are monodentate. In the phenyloxazoline units, the dihedral angle defined by the five-membered heterocyclic rings is 35.81 (5)°, while the phenyl substituents are approximately face-to-face, separated by 3.908 (5) Å. In the amide, the methyl groups assume a nearly eclipsed arrangement to minimize steric repulsion with the analogous substituents on the oxazoline rings. The non-covalent interactions in the solid-state structure of [Li{N(Si(CH 3 ) 3 ) 2 }(Phox) 2 ] were assessed by Hirshfeld surface analysis and fingerprint plots. This new compound is attractive for catalysis due to its unique structural features.

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