Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 4 (April 2013)


metal-organic compounds



lh5594 scheme

Acta Cryst. (2013). E69, m224-m225    [ doi:10.1107/S1600536813007344 ]

Chlorido[1-(2-oxidophenyl)ethylidene][tris(3,5-dimethylpyrazol-1-yl)hydroborato]iridium(III) chloroform monosolvate

L. L. Santos, M. Paneque and K. Mereiter

Abstract: In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octahedral geometry by three facial N atoms, one C atom, one O atom and one Cl atom. The Ir=Ccarbene bond is strong and short and exerts a notable effect on the trans-Ir-N bond, which is about 0.10 Å longer than the two other Ir-N bonds. The chloroform solvent molecule is anchored via a weak C-H...Cl hydrogen bond to the Cl atom of the Ir complex molecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak intermolecular C-H...Cl hydrogen bonds, as well as weak Cl...Cl [3.498 (2) Å] and Cl...[pi] [3.360 (4) Å] interactions. A weak intramolecular C-H...O hydrogen bond is also observed.


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