Okeke Ugochukwu, Otchere Raymond, Gultneh Yilma, Butcher Ray J
Department of Chemistry, Howard University, 525 College Street NW, Washington, DC 20059, USA.
Acta Crystallogr E Crystallogr Commun. 2018 Aug 31;74(Pt 9):1380-1383. doi: 10.1107/S2056989018012100. eCollection 2018 Sep 1.
The title compound, Zn(CHBrNO)·2CHCN, crystallizes as a symmetrical trinuclear cation with all three metal atoms being located on a twofold rotation axis. It contains a tetra-hedral Zn atom that bridges two six-coordinate Zn atoms. The complex contains N- and O-donor atoms of four tridentate 2,4-di-bromo-6-{[2-(pyridin-2-yl)eth-yl]imino-meth-yl}phenolate ligands. The ratio of Zn atoms to ligands is 3:4. The two terminal Zn cations adopt distorted octa-hedral geometries and the central Zn cation adopts a distorted tetra-hedral geometry. In the cation there are π-π inter-actions between the di-bromo-phenyl rings, as well as halogen-bonding inter-actions between the di-bromo-phenyl rings in the cation, which stabilize its conformation. In addition, there are C-H⋯O inter-actions between the anions and both the cations and solvent mol-ecules as well as C-H⋯N inter-actions between the cation and solvent mol-ecules. These inter-species inter-actions link the cations, anions and solvent mol-ecules into a complex three-dimensional array.
标题化合物Zn(CHBrNO)·2CHCN以对称的三核阳离子形式结晶，所有三个金属原子均位于二重旋转轴上。它包含一个四面体锌原子，该原子桥连两个六配位锌原子。该配合物含有四个三齿2,4 - 二溴 - 6 - {[2 - (吡啶 - 2 - 基)乙基]亚氨基甲基}酚盐配体的氮和氧供体原子。锌原子与配体的比例为3:4。两个末端锌阳离子采用扭曲的八面体几何构型，中心锌阳离子采用扭曲的四面体几何构型。在阳离子中，二溴苯环之间存在π - π相互作用，以及阳离子中二溴苯环之间的卤键相互作用，这些作用稳定了其构象。此外，阴离子与阳离子和溶剂分子之间存在C - H⋯O相互作用，阳离子与溶剂分子之间存在C - H⋯N相互作用。这些物种间相互作用将阳离子、阴离子和溶剂分子连接成一个复杂的三维阵列。
