Trichlorido(tetra-hydro-furan){(1,2,3,3a,7a-?)-1-[2-(1-trimethyl-silyl-1H-imidazol-2-yl-?N)-1-methyl-prop-yl]inden-yl}zirconium(IV).

ABSTRACT: The title compound, [ZrCl(3)(C(19)H(25)N(2)Si)(C(4)H(8)O)], was prepared from bis-(N,N-dimethyl-amido-?N)(2-{2-[(1,2,3,3a,7a-?)-inden-yl]-2-methyl-prop-yl}-1H-imidazolido-?N(1))zirconium(IV) [(C(16)H(16)N(2))Zr(NMe(2))] by reaction with excess Me(3)SiCl in tetra-hydro-furan (THF) at elevated temperature. The crystal studied contained a minor non-merohedral twin contaminant [6.3?(4)%] which was taken into account during the refinement. The coordination polyhedron of the Zr(IV) atom is a distorted octa-hedron [assuming that the five-membered ring of the indenyl group (Cp) occupies one coordination site], with the Cp group and a THF O atom at the apical positions and the three Cl and ligating N atoms at the equatorial positions. The Zr, Si and the methyl-ene C atoms deviate noticeably from the imidazole ring plane [by -0.197?(5), -0.207?(5) and 0.119?(6)?Å, respectively]. The THF ligand adopts an envelope conformation.

SUBMITTER: Guan S 

PROVIDER: S-EPMC3089326 | biostudies-other | 2011 May

REPOSITORIES: biostudies-other