Blasberg Florian, Bats Jan W, Wagner Matthias, Lerner Hans-Wolfram
Acta Crystallogr Sect E Struct Rep Online. 2011 Dec 1;67(Pt 12):m1837-8. doi: 10.1107/S1600536811049373. Epub 2011 Nov 25.
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.
标题化合物[Ir(C₁₁H₈N)₂Cl(CH₃CN)]的铱(III)原子呈现出扭曲的八面体配位。吡啶基处于反式位置[N-Ir-N = 173.07 (10)°],而苯基相对于乙腈和氯基团处于反式[C-Ir-N = 178.13 (11)°以及C-Ir-Cl = 176.22 (9)°]。吡啶基-苯基仅显示出与平面的小偏差,每个吡啶基-苯基中两个六元环平面之间的二面角为5.6 (2)°和5.8 (1)°。晶体堆积显示出分子间的C-H⋯Cl、C-H⋯π(乙腈)和C-H⋯π(吡啶基-苯基)接触。