Crystal structure of [1,3-bis-(2,4,6-tri-methyl-phen-yl)imidazolidin-2-yl-idene]di-chlorido-{2-[1-(di-methyl-amino)-eth-yl]benzyl-idene}ruthenium including an unknown solvate

Acta Crystallogr E Crystallogr Commun. 2019 Feb 8;75(Pt 3):342-345. doi: 10.1107/S2056989019001725. eCollection 2019 Mar 1.

Abstract

The title compound, [RuCl2(C21H26N2)(C11H15N)], is an example of a new generation of N,N-dialkyl metallocomplex ruthenium catalysts with an N→Ru coordination bond as part of a six-membered chelate ring. The Ru atom has an Addison τ parameter of 0.234, which indicates a geometry inter-mediate between square-based pyramidal and trigonal-bipyramidal. The complex shows the usual trans arrangement of the two chloride ligands, with Ru-Cl bond lengths of 2.3397 (8) and 2.3476 (8) Å, and a Cl-Ru- Cl angle of 157.47 (3)°. The crystal structure features C-H⋯Cl, C-H⋯π and π-π stacking inter-actions. The solvent mol-ecules were found to be highly disordered and their contribution to the scattering was removed with the SQUEEZE procedure in PLATON [Spek (2015). Acta Cryst. C71, 9-18], which indicated a solvent cavity of volume 1096 Å3 containing approximately 419 electrons. These solvent mol-ecules are not considered in the given chemical formula and other crystal data.

Keywords: Hoveyda–Grubbs catalyst; N—Ru coordination bond; SQUEEZE; crystal structure; metathesis of olefins; ruthenium catalyst.

Grants and funding

This work was funded by Russian Science Foundation grant 18–13-00456.