Crystal structure of (η4-cyclooctadiene)(3,3′-dimesityl-1,1′-methylenediimidazoline-2,2′-diylidene)nickel(0) tetrahydrofuran monosolvate

Abstract

The crystal structure of the title compound, [Ni(C25H28N4)(C8H12)]·C4H8O or (MesNHC2Me)Ni(COD), which contains a bidentate N-heterocyclic carbene (NHC) ligand with mesityl aryl groups is reported. The complex at 100 K has monoclinic (P21/c) symmetry and a distorted tetrahedral geometry around the nickel center, with the cyclooctadiene ligand coordinated in a κ2,η2 fashion. The bidentate NHC ligand is not planar, with a C(carbene)—Ni—C(carbene) angle of 91.51 (12)°, resulting in the mesityl groups being on the same side of the cyclooctadiene (COD) ligand. One molecule of tetrahydrofuran (THF) is co-crystallized with the nickel complex and has positional disorder.

Document Details

Document Type
Pub Defense Publication
Publication Date
Sep 07, 2018
Source ID
10.1107/s2056989018012252

Entities

People

  • Carlos D. Yamamoto
  • S Chantal E Stieber
  • Zijie Zhang

Organizations

  • Army Research Office
  • California State Polytechnic University, Pomona
  • California State University

Tags

Fields of Study

  • Chemistry

Readers

  • Organic Chemistry
  • Quantum Chemistry