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[2-({4-[2,6-双(吡啶-2-基)吡啶-4-基]苯基}(甲基)氨基)乙醇-κ(3)N,N',N'']双(硫氰酸根合-κN)锌N,N-二甲基甲酰胺单溶剂合物的晶体结构

Crystal structure of [2-({4-[2,6-bis(pyri-din-2-yl)pyri-din-4-yl]phenyl}(methyl)amino)-ethanol-κ(3) N,N',N'']bis-(thio-cyan-ato-κN)zinc N,N-di-methyl-formamide monosolvate.

作者信息

Wang Shi-Chao, Pan Rou-Chen, Song Wan-Ying, Li Sheng-Li

机构信息

Department of Chemistry, Anhui University, Hefei 230039, People's Republic of China, Key Laboratory of Functional Inorganic Materials Chemistry, Hefei 230039, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2014 Sep 6;70(Pt 10):m347-8. doi: 10.1107/S1600536814019527. eCollection 2014 Oct 1.

Abstract

In the title compound, [Zn(NCS)2(C24H22N4O)]·C3H7NO, the Zn(II) cation is N,N',N''-chelated by one 2-({4-[2,6-bis-(pyridin-2-yl)pyridin-4-yl]phen-yl}(meth-yl)amino)-ethanol ligand and coordinated by two thio-cyanate anions in a distorted N5 trigonal-bipyramidal geometry. In the mol-ecule, the three pyridine rings are approximately coplanar [maximum deviation = 0.026 (5) Å], and the mean plane of the three pyridine rings is twisted to the benzene ring with a small dihedral angle of 5.9 (2)°. In the crystal, complex mol-ecules are linked by weak C-H⋯O hydrogen bonds into supra-molecular chains propagated along [110]; π-π stacking is observed between adjacent chains [centroid-centroid distance = 3.678 (4) Å]. The di-methyl-formamide solvent mol-ecules are linked with the complex chains via weak C-H⋯O hydrogen bonds.

摘要

在标题化合物[Zn(NCS)₂(C₂₄H₂₂N₄O)]·C₃H₇NO中,Zn(II)阳离子由一个2-({4-[2,6-双-(吡啶-2-基)吡啶-4-基]苯基}(甲基)氨基)-乙醇配体进行N,N',N''-螯合,并由两个硫氰酸根阴离子配位,形成扭曲的N₅三角双锥几何构型。在分子中,三个吡啶环近似共面[最大偏差 = 0.026 (5) Å],并且三个吡啶环的平均平面与苯环扭曲,二面角较小,为5.9 (2)°。在晶体中,配合物分子通过弱C-H⋯O氢键连接成沿[110]方向延伸的超分子链;在相邻链之间观察到π-π堆积[质心-质心距离 = 3.678 (4) Å]。二甲基甲酰胺溶剂分子通过弱C-H⋯O氢键与配合物链相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/7b13/4257219/55fe23f5ad43/e-70-0m347-fig1.jpg

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