(Acetonitrile-κN)chloridobis[2-(pyridin-2-yl)phenyl-κ C ,N]iridium(III)

Acta Crystallographica Section E Structure Reports Online (Impact Factor: 0.35). 12/2011; 67(Pt 12):m1837-8. DOI: 10.1107/S1600536811049373
Source: PubMed

ABSTRACT The Ir(III) atom of the title compound, [Ir(C(11)H(8)N)(2)Cl(CH(3)CN)], displays a distorted octa-hedral coordination. The pyridyl groups are in trans positions [N-Ir-N = 173.07 (10)°], while the phenyl groups are trans with respect to the acetonitrile and chloride groups [C-Ir-N = 178.13 (11) and C-Ir-Cl = 176.22 (9)°]. The pyridyl-phenyl groups only show a small deviation from planarity, with the dihedral angle between the planes of the two six-membered rings in each pyridyl-phenyl group being 5.6 (2) and 5.8 (1)°. The crystal packing shows inter-molecular C-H⋯Cl, C-H⋯π(acetonitrile) and C-H⋯π(pyridyl-phen-yl) contacts.

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    ABSTRACT: The ortho-hydroquinone-substituted bis(3,5-dimethylpyrazol-1-yl)methane ligand (HO)2C6H3–C(H)(pzMe,Me)2 (7) has been synthesized and fully characterized. Together with its bis(3-tert-butylpyrazol-1-yl)methane congener (HO)2C6H3–C(H)(pztBu)2 (6), 7 was employed in oxidation and complexation studies. 6 has been oxidized with 2,3-dichloro-5,6-dicyano-para-benzoquinone to the corresponding ortho-benzoquinone form 9 on a preparative scale. Pure samples of 9 are stable for several hours in solution and for approximately one day in the solid state. Attempts at a N,N′ coordination of [PdCl2] to 6 led to decomposition of the −C(H)(pztBu)2 moiety, whereas an introduction of [PdCl2] exclusively at the N,N′ site was possible in high yield for ligand 7. A selectively O,O′-chelated [(p-cym)Ru]2+ complex was accessible for ligand 6, but not for 7. In contrast, [(ppy)2Ir]+ and [(Cp*)Ir]2+ gave O,O′ complexes with both donors 6 and 7 (Hppy = 2-phenylpyridine; HCp* = pentamethylcyclopentadiene). The heterodinuclear complex [(Cp*)Ir(O)2C6H3–C(H)(pzMe,Me)2PdCl2] (16) was obtained from 14 and [(MeCN)2PdCl2].
    Organometallics 03/2012; 31(8):3213–3221. DOI:10.1021/om3000746 · 4.13 Impact Factor


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