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双[2-(1H-苯并三唑-1-基)-1H-苯并咪唑-1-亚氨基]二乙醇镉

Bis[2-(1H-benzotriazol-1-yl)-1H-benz-imidazol-1-ido]diethano-lcadmium.

作者信息

Cao Ping, Liu Jia-Cheng, Hu Dong-Cheng

机构信息

College of Chemistry and Chemical Engineering, Key Laboratory of Eco-Environment-Related Polymer Materials of the Ministry of Education, Key Laboratory of Polymer Materials of Gansu Province, Key Laboratory of Bioelectrochemistry & Environmental Analysis of Gansu, Northwest Normal University, Lanzhou 730070, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2013 Mar 1;69(Pt 3):m134. doi: 10.1107/S1600536813001827. Epub 2013 Feb 2.

DOI:10.1107/S1600536813001827
PMID:23476484
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3588456/
Abstract

In the title complex, [Cd(C13H8N5)2(C2H5OH)2], the Cd(II) cation is located on an inversion center and coordinated by two deprotonated 2-(1H-benzotriazol-1-yl)-1H-benzimid-azol-1-ide (L) ligands and two ethanol mol-ecules in a distorted N4O2 octa-hedral geometry. In the L ligand, the dihedral angle between benzoimidazole and benzotriazole ring systems is 10.8 (3)°. In the crystal, the complex mol-ecules are connected by O-H⋯N hydrogen bonds; inter-molecular π-π stacking is also observed [centroid-centroid distances of 3.668 (5) Å between triazole and benzene rings and 3.780 (5) Å between imidazole rings].

摘要

在标题配合物[Cd(C₁₃H₈N₅)₂(C₂H₅OH)₂]中，Cd(II)阳离子位于一个对称中心上，由两个去质子化的2-(1H-苯并三唑-1-基)-1H-苯并咪唑-1-负离子（L）配体和两个乙醇分子以扭曲的N₄O₂八面体几何构型配位。在L配体中，苯并咪唑和苯并三唑环系之间的二面角为10.8 (3)°。在晶体中，配合物分子通过O-H⋯N氢键相连；还观察到分子间的π-π堆积作用[三唑环与苯环之间的质心-质心距离为3.668 (5) Å，咪唑环之间的质心-质心距离为3.780 (5) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/798a/3588456/4d0177c5da6c/e-69-0m134-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/798a/3588456/bbdb0cac6e9f/e-69-0m134-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/798a/3588456/4d0177c5da6c/e-69-0m134-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/798a/3588456/bbdb0cac6e9f/e-69-0m134-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/798a/3588456/4d0177c5da6c/e-69-0m134-fig2.jpg

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