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双[μ-2-(2,4-二氟苯基)-1,3-双-(1,2,4-三唑-1-基)丙-2-醇根合-κN,O:O,N]双[(乙酸根合-κO,O')镍(II)]甲醇半溶剂合物

Bis[μ-2-(2,4-difluoro-phen-yl)-1,3-bis-(1,2,4-triazol-1-yl)propan-2-olato-κN,O:O,N]bis-[(acetato-κO,O')nickel(II)] methanol hemisolvate.

作者信息

Zhang Feng, Hu Fei-Long, Huang Zhong-Jing, Zhuang Ji-Chang, Zhuang Yue

机构信息

Department of Chemistry, Guangxi University for Nationalities, Nanning 530006, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 19;66(Pt 1):m75-6. doi: 10.1107/S160053680905377X.

DOI:10.1107/S160053680905377X
PMID:21579969
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980145/
Abstract

In the title complex, [Ni(2)(C(13)H(11)F(2)N(6)O)(2)(C(2)H(3)O(2))(2)]·0.5CH(3)OH, there are two half-molecules in the asymmetric unit. The two centrosymmetrically related Ni(II) atoms, each attached to an acetate ligand, are linked by two fluconazole ligands. Each Ni(II) atom is six-coordinated in a distorted octa-hedral geometry by two N atoms of the triazole groups and two bridging O atoms from two different fluconazole ligands and two O atoms from a chelating acetate ligand. In the crystal structure, the half-occupied methanol solvent mol-ecule is linked to a triazole group via an O-H⋯N hydrogen bond.

摘要

在标题配合物[Ni₂(C₁₃H₁₁F₂N₆O)₂(C₂H₃O₂)₂]·0.5CH₃OH中，不对称单元中有两个半分子。两个中心对称相关的Ni(II)原子，每个都连接一个乙酸根配体，通过两个氟康唑配体相连。每个Ni(II)原子通过三唑基团的两个N原子、来自两个不同氟康唑配体的两个桥连O原子以及来自一个螯合乙酸根配体的两个O原子，以扭曲的八面体几何构型进行六配位。在晶体结构中，半占据的甲醇溶剂分子通过O—H⋯N氢键与一个三唑基团相连。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fc4/2980145/b6b21a6c61a8/e-66-00m75-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fc4/2980145/544932aa673b/e-66-00m75-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fc4/2980145/b6b21a6c61a8/e-66-00m75-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fc4/2980145/544932aa673b/e-66-00m75-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9fc4/2980145/b6b21a6c61a8/e-66-00m75-fig2.jpg

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