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水合-(2-氧化-2,2-二苯基-乙酸根-κO,O)(1,10-菲啰啉-κN,N')铜(II)

Aqua-(2-oxido-2,2-diphenyl-acetato-κO,O)(1,10-phenanthroline-κN,N')copper(II).

作者信息

Yang Xiao-Xia, Zhang Fu-Yong, Xu Shi-Hai

机构信息

Department of Chemistry, Jinan University, Guangzhou 510632, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Dec 16;66(Pt 1):m69. doi: 10.1107/S1600536809053483.

DOI:10.1107/S1600536809053483
PMID:21579963
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2980168/
Abstract

In the title mononuclear complex, [Cu(C(14)H(10)O(3))(C(12)H(8)N(2))(H(2)O)], the Cu(II) atom is five-coordinated by two N atoms from a 1,10-phenanthroline (phen) ligand, two O atoms from a benzilate ligand and one O atom from a water mol-ecule in a distorted square-pyramidal geometry. The crystal structure is stabilized via inter-molecular O-H⋯O and C-H⋯O hydrogen bonds, C-H⋯π inter-actions and π-π stacking inter-actions between the pyridine and benzene rings of neighboring phen ligands [centroid-centroid distances = 3.684 (2), 3.564 (2) and 3.380 (1) Å].

摘要

在标题单核配合物[Cu(C₁₄H₁₀O₃)(C₁₂H₈N₂)(H₂O)]中,Cu(II)原子由1,10 - 菲咯啉(phen)配体的两个N原子、二苯乙醇酸配体的两个O原子和一个水分子的一个O原子以扭曲的四方锥几何构型进行五配位。晶体结构通过分子间的O - H⋯O和C - H⋯O氢键、C - H⋯π相互作用以及相邻phen配体的吡啶环和苯环之间的π - π堆积相互作用得以稳定[质心 - 质心距离 = 3.684 (2)、3.564 (2)和3.380 (1) Å]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1dac/2980168/ee77add2ecb2/e-66-00m69-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1dac/2980168/0cbe2ae74e68/e-66-00m69-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1dac/2980168/ee77add2ecb2/e-66-00m69-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1dac/2980168/0cbe2ae74e68/e-66-00m69-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/1dac/2980168/ee77add2ecb2/e-66-00m69-fig2.jpg

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本文引用的文献

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Acta Crystallogr A. 2008 Jan;64(Pt 1):112-22. doi: 10.1107/S0108767307043930. Epub 2007 Dec 21.
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Structure of lithium benzilate hemihydrate solved by simulated annealing and difference Fourier synthesis from powder data.通过模拟退火和粉末数据差示傅里叶合成解析的半水合苯甲酸锂的结构。
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