Butylbis[μ-4-(2,4,6-trimethylphenylamino)pent-3-en-2-onato][4-(2,4,6-trimethylphenylamino)pent-3-en-2-onato]dimagnesium

Abstract

The structure of the title compound, [Mg2(C4H9)(C14H18NO)3], contains two Mg atoms bridged by two μ2-O atoms from two of the three ketiminate ligands, while the third ketiminate is strictly chelating to one of the Mg atoms, which is thereby five-coordinate. In place of a chelating ligand, the second Mg atom is ligated by a single terminal n-butyl group and thus is four-coordinate. This is, so far, the only structurally characterized mixed magnesium ketiminate–alkyl cluster. The geometry at the first Mg atom is close to trigonal-bipyramidal with one chelating and one bridging O atom in the axial positions and two chelating N and one bridging O atom in the equatorial positions. The geometry at the second Mg atom is very distorted from tetra­hedral, with an O—Mg—C angle of 131.0 (1)°.

Backbone-Substituted β-Ketoimines and Ketoiminate Clusters: Transoid Li2O2 Squares and D2-Symmetric Li4O4 Cubanes. Synthesis, Crystallography and DFT Calculations

“…The relationship between dimeric and tetrameric aggregates and the preference for the common S 4 -and rare D 2 -symmetric Li 4 O 4 cubanes is rationalised using hybrid-DFT calculations. We have recently reported the structure of the first mixed ketoiminate-alkyl complex of magnesium derived from 1b [37]. The structural chemistry of lithiated organoelement species has seen enormous development over 30 years of active investigation and is known to show great diversity of structures due to aggregation and Lewis base coordination.…”

“…The relationship between dimeric and tetrameric aggregates and the preference for the common S4-and rare D2-symmetric Li4O4 cubanes is rationalised using hybrid-DFT calculations. We have recently reported the structure of the first mixed ketoiminate-alkyl complex of magnesium derived from 1b [37]. …”