Bis(3-methylphenolato-κO)(nitrosyl-κN)[tris(3,5-dimethylpyrazol-1-yl-κN2)hydridoborato]molybdenum(II)

Wojciech Nitek,Tomasz Lubera,Andrzej J Włodarczyk,Piotr P Romańczyk

doi:10.1107/s1600536810033763

Abstract

The title complex, [Mo(C15H22BN6)(C7H7O)2(NO)], contains an {MoNO}4 core stabilized by κ3-hydrotris(3,5-dimethylpyrazol-1-yl)borate, [TpMe2]−, and two anionic m-cresolate ligands, leading to a distorted octahedral geometry for the Mo atom. The short Mo—O bond lengths [1.935 (2) and 1.971 (2) Å], as well as large Mo—O—Csp 2 angles [134.2 (2) and 143.54 (19)°], indicate dπMo—pπO interactions, which are clearly weaker when compared with {Mo(NO)(TpMe2)} alkoxides. The nitrosyl system is virtually linear [179.3 (3)°] with Mo—N and N—O bond lengths of 1.760 (2) and 1.205 (3) Å, respectively. Intra- and intermolecular C—H(Ph or CH3)⋯π(Ph) interactions between adjacent phenyl rings are found in the crystal structure (d H⋯Ph in the range 2.743–2.886 Å). One of the Ph rings shows disorder, i.e. swinging in the ring plane.

Highlights

Intra- and intermolecular C—H(Ph or CH3) (Ph) interactions between adjacent phenyl rings are found in the crystal structure
Data collection: COLLECT (Nonius, 1998); cell refinement: SCALEPACK (Otwinowski & Minor, 1997); data reduction: DENZO (Otwinowski & Minor, 1997) and SCALEPACK; program(s) used to solve structure: SIR97 (Altomare et al, 1999); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997); software used to prepare material for publication: WinGX (Farrugia, 1999). The importance of this class of Mo complexes comes from the fact that some {MoNO}4 alkoxides are efficient catalysts in the cathodic reduction of CHCl3
The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry

Summary

Structure Reports

Włodarczykb a Faculty of Chemistry, Jagiellonian University, ul. R. Ingardena 3, 30-060 Kraków, Poland, and bFaculty of Chemical Engineering and Technology, Cracow University of Technology, ul. R factor = 0.041; wR factor = 0.105; data-to-parameter ratio = 18.0. The title complex, [Mo(C15H22BN6)(C7H7O)2(NO)], contains an {MoNO}4 core stabilized by 3-hydrotris(3,5-dimethylpyrazol-1-yl)borate, [TpMe2] , and two anionic m-cresolate ligands, leading to a distorted octahedral geometry for the Mo atom. The short Mo—O bond lengths [1.935 (2) and. 143.54 (19) ], indicate dMo—pO interactions, which are clearly weaker when compared with {Mo(NO)(TpMe2)}. Intra- and intermolecular C—H(Ph or CH3) (Ph) interactions between adjacent phenyl rings are found in the crystal structure One of the Ph rings shows disorder, i.e. swinging in the ring plane

Nonius KappaCCD diffractometer

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