Dai Jing-Wei, Li Zhao-Yang, Sato Osamu
Institute for Materials Chemistry and Engineering, Kyushu University, 6-1 Kasuga-koen, Kasuga, Fukuoka 816-8580, Japan.
Department of Chemistry, Graduate School of Science, Tohoku University, 6-3 Aramaki-Aza-Aoba, Aoba-ku, Sendai 980-8578, Japan.
Acta Crystallogr Sect E Struct Rep Online. 2014 Jan 8;70(Pt 2):m35. doi: 10.1107/S1600536813034818. eCollection 2014 Feb 1.
In the title complex, [Fe(NCS)2(C18H18N4)], the Fe(II) cation is chelated by a tris-(2-pyridyl-meth-yl)amine ligand and coordin-ated by two thio-cyanate anions in a distorted N6 octa-hedral geometry. In the crystal, weak C-H⋯S hydrogen bonds and π-π stacking inter-actions between parallel pyridine rings of adjacent mol-ecules [centroid-centroid distance = 3.653 (3) Å] link the mol-ecules into a two-dimensional supra-molecular architecture. The structure contains voids of 124 (9) Å(3), which are free of solvent molecules.
在标题配合物[Fe(NCS)₂(C₁₈H₁₈N₄)]中,Fe(II)阳离子由三(2 - 吡啶甲基)胺配体螯合,并由两个硫氰酸根阴离子配位,形成扭曲的N₆八面体几何构型。在晶体中,相邻分子平行吡啶环之间的弱C—H⋯S氢键和π - π堆积相互作用[质心 - 质心距离 = 3.653(3) Å]将分子连接成二维超分子结构。该结构包含124(9) ų的空隙,其中没有溶剂分子。