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

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 th...

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Bibliographic Details
Main Authors: Laura L. Santos, Margarita Paneque, Kurt Mereiter
Format: Article
Language:English
Published: International Union of Crystallography 2013-04-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536813007344
Description
Summary: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...π [3.360 (4) Å] interactions. A weak intramolecular C—H...O hydrogen bond is also observed.
ISSN:1600-5368