Shan Wen-Wen, Zhang Peng, Hu Xi-Ying
Institute of Environmental and Municipal Engineering, North China University of Water Conservancy and Electric Power, Zhengzhou 450011, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):m634. doi: 10.1107/S1600536811014899. Epub 2011 Apr 29.
The crystal structure of the title compound, (C(16)H(13)FN)[Ni(C(3)S(5))(2)], consists of Ni(III) complex anions and 1-(2-fluoro-benz-yl)quinolinium (fbq) cations. In the complex anion, the Ni(III) cation is chelated by two 2-sulfanylidene-1,3-dithiole-4,5-dithiol-ate (dmit) dianions in a distorted square-planar geometry; the two dmit mean planes are twisted with respect to each other at a dihedral angle of 8.44 (3)°. In the fbq cation, the dihedral angle between the benzene ring and the quinoline ring system is 80.57 (14)°. The centroid-centroid distance of 3.860 (5) Å between benzene rings indicates π-π stacking between adjacent fbq cations. The distance of 3.4958 (18) Å between the S atom and the centroid of the pyridine ring suggests the existence of a lone-pair-aromatic inter-action between the anion and the cation. A short S⋯S contact [3.387 (2) Å] is also observed in the crystal structure.
标题化合物(C₁₆H₁₃FN)[Ni(C₃S₅)₂]的晶体结构由Ni(III)络合阴离子和1-(2-氟苄基)喹啉鎓(fbq)阳离子组成。在络合阴离子中,Ni(III)阳离子由两个2-硫亚基-1,3-二硫杂环戊烯-4,5-二硫醇盐(dmit)二阴离子以扭曲的平面正方形几何构型螯合;两个dmit平均平面彼此以8.44(3)°的二面角扭曲。在fbq阳离子中,苯环与喹啉环系统之间的二面角为80.57(14)°。苯环之间3.860(5)Å的质心-质心距离表明相邻fbq阳离子之间存在π-π堆积。S原子与吡啶环质心之间3.4958(18)Å的距离表明阴离子与阳离子之间存在孤对-芳香相互作用。在晶体结构中还观察到短的S⋯S接触[3.387(2)Å]。