Crystal structure of a three-coordinate lithium complex with monodentate phenyl-oxazoline and hexa-methyl-disilyl-amide ligands

具有单齿苯基恶唑啉和六甲基二硅酰胺配体的三配位锂配合物的晶体结构

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作者:José Severiano Carneiro Neto, Eduardo Mariano Iwaya, Francielli Sousa Santana, Jaísa Fernandes Soares

Abstract

The reaction of lithium hexa-methyl-disilyl-amide, [Li{N(Si(CH3)3)2}] (LiHMDS), with 4,4-dimethyl-2-phenyl-2-oxazoline (Phox, C11H13NO) in hexane produced colourless crystals of bis-(4,4-dimethyl-2-phenyl-2-oxazoline-κN)(hexa-methyl-disilyl-amido-κN)lithium, [Li(C6H18NSi2)(C11H13NO)2] or [Li{N(Si(CH3)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 C2/c space group, the neutral mol-ecules lie on twofold rotation axes coinciding with the Li-N(amide) bonds. The lithium(I) centre adopts a trigonal-planar coordination geometry with three nitro-gen donor atoms, one from the HMDS anion and two from the oxazolines. All ligands are monodentate. In the phenyl-oxazoline 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 inter-actions in the solid-state structure of [Li{N(Si(CH3)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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