Pang Ting, Liu Jia-Cheng, Sun Zan, Xiao Chao-Hu, Cao Ping
Key Laboratory of Polymer Materials of Gansu Province, College of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2012 Jul 1;68(Pt 7):m883. doi: 10.1107/S1600536812024622. Epub 2012 Jun 13.
In the title complex, [Ni(C₆H₆N₃O)(NCS)(C₆H₇N₃O)(H₂O)] or [Ni(mpko)(SCN)(mpkoH)(H₂O)] [where mpkoH = 1-(pyrazin-2-yl)ethanone oxime], the Ni(II) cation is in a slightly distorted octa-hedral geometry, being coordinated in the equatorial plane by four N atoms from two different mpkoH ligands, one of which is deprotonated, and by one N atom from a thio-cyanate anion and one O atom from a water mol-ecule in the axial positions. There is an intra-molecular O-H⋯O hydrogen bond involving the oxime units of the two ligands. In the crystal, a three-dimensional supra-molecular architecture is formed by O-H⋯O and O-H⋯N hydrogen bonds.
在标题配合物[Ni(C₆H₆N₃O)(NCS)(C₆H₇N₃O)(H₂O)]或[Ni(mpko)(SCN)(mpkoH)(H₂O)] [其中mpkoH = 1-(吡嗪-2-基)乙酮肟]中，Ni(II)阳离子处于轻微扭曲的八面体几何构型，在赤道平面上由来自两个不同mpkoH配体的四个N原子配位，其中一个去质子化，在轴向位置由硫氰酸根阴离子的一个N原子和一个水分子的一个O原子配位。存在涉及两个配体肟单元的分子内O-H⋯O氢键。在晶体中，通过O-H⋯O和O-H⋯N氢键形成三维超分子结构。
