Santos Laura L, Paneque Margarita, Mereiter Kurt
Instituto de Investigaciones Químicas (IIQ) and Departamento de Química Inorgánica, Consejo Superior de Investigaciones Cientificas (CSIC) and Universidad de Sevilla, Avenida Américo Vespucio 49, 41092 Sevilla, Spain.
Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 23;69(Pt 4):m224-5. doi: 10.1107/S1600536813007344. Print 2013 Apr 1.
In the title compound, [Ir(C15H22BN6)(C8H7O)Cl]·CHCl3, the Ir atom is formally trivalent and is coordinated in a slightly distorted octa-hedral 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 chloro-form solvent mol-ecule is anchored via a weak C-H⋯Cl hydrogen bond to the Cl atom of the Ir complex mol-ecule. In the crystal, the constituents adopt a layer-like arrangement parallel to (010) and are held together by weak inter-molecular C-H⋯Cl hydrogen bonds, as well as weak Cl⋯Cl [3.498 (2) Å] and Cl⋯π [3.360 (4) Å] inter-actions. A weak intra-molecular C-H⋯O hydrogen bond is also observed.
在标题化合物[Ir(C₁₅H₂₂BN₆)(C₈H₇O)Cl]·CHCl₃中，Ir原子呈形式上的三价，通过三个面式N原子、一个C原子、一个O原子和一个Cl原子以略微扭曲的八面体几何构型配位。Ir = C卡宾键强且短，对反式Ir - N键有显著影响，该键比另外两个Ir - N键长约0.10 Å。氯仿溶剂分子通过弱C - H⋯Cl氢键锚定到Ir配合物分子的Cl原子上。在晶体中，各组分采取平行于(010)的层状排列，并通过弱分子间C - H⋯Cl氢键以及弱Cl⋯Cl [3.498(2) Å]和Cl⋯π [3.360(4) Å]相互作用维系在一起。还观察到一个弱分子内C - H⋯O氢键。
