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{6,6'-二甲氧基-2,2'-[萘-2,3-二亚基双(次氮基甲基亚基)]二酚根合硫氰酸根合钴(III)}二乙醚二氯甲烷溶剂化物

{6,6'-Dimeth-oxy-2,2'-[naphthalene-2,3-diylbis(nitrilo-methyl-idyne)]diphenolato}thio-cyanato-cobalt(III) diethyl ether dichloro-methane solvate.

作者信息

Yu Zhong, Kuroda-Sowa Takayoshi, Nabei Atsuhiro, Maekawa Masahiko, Okubo Takashi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Feb 6;65(Pt 3):m257-8. doi: 10.1107/S1600536809000841.

DOI:10.1107/S1600536809000841
PMID:21582048
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2968487/
Abstract

In the title complex, [Co(C(26)H(20)N(2)O(4))(NCS)]·C(4)H(10)O·CH(2)Cl(2), the penta-coordinated Co(III) atom exhibits a distorted square-pyramidal geometry with an N,N',O,O' tetra-dentate Schiff base ligand in the basal plane and one thio-cyanate ligand at the apical site. The diethyl ether mol-ecule is located in a cavity provided by four O atoms of the ligand with weak C-H⋯O inter-actions, generating two short O⋯O contact distances [2.766 (3) and 2.745 (3) Å] between the diethyl ether mol-ecule and the ligand. The crystal structure is stabilized by the weak C-H⋯O and C-H⋯N inter-actions and π-π inter-actions between the naphthyl ring system and the benzene ring [centroid-centroid distance = 3.657 (5) Å] and between the two naphthyl ring systems [centroid-centroid distance = 4.305 (2) Å].

摘要

在标题配合物[Co(C₂₆H₂₀N₂O₄)(NCS)]·C₄H₁₀O·CH₂Cl₂中,五配位的Co(III)原子呈现出扭曲的四方锥几何构型,其底面为一个N,N',O,O'四齿席夫碱配体,顶端为一个硫氰酸根配体。二乙醚分子位于由配体的四个O原子提供的空腔中,存在弱的C-H⋯O相互作用,在二乙醚分子与配体之间产生了两个较短的O⋯O接触距离[2.766 (3)和2.745 (3) Å]。晶体结构通过弱的C-H⋯O和C-H⋯N相互作用以及萘环体系与苯环之间的π-π相互作用[质心-质心距离 = 3.657 (5) Å]和两个萘环体系之间的π-π相互作用[质心-质心距离 = 4.305 (2) Å]得以稳定。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f90f/2968487/cc17c83841a1/e-65-0m257-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f90f/2968487/987ad76e473c/e-65-0m257-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f90f/2968487/cc17c83841a1/e-65-0m257-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f90f/2968487/987ad76e473c/e-65-0m257-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f90f/2968487/cc17c83841a1/e-65-0m257-fig2.jpg

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本文引用的文献

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Material applications for salen frameworks.萨伦骨架的材料应用。
Angew Chem Int Ed Engl. 2008;47(13):2354-64. doi: 10.1002/anie.200702468.
2
A short history of SHELX.SHELX简史。
Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.