[Zn(3-(2'-pyridyl)-5-phenyl-1,2,4-oxadiazole)2(ClO4)2] | 1312793-01-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Zn(3-(2'-pyridyl)-5-phenyl-1,2,4-oxadiazole)2(ClO4)2]
• 英文别名: [Zn(pyOXA)2(ClO4)2]
• CAS: 1312793-01-3
• 化学式: C₂₆H₁₈Cl₂N₆O₁₀Zn
• 分子量: 710.759
• InChiKey: BNDWAYKRZGHJIG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  zinc perchlorate 、 5-phenyl-3-(pyridin-2-yl)-1,2,4-oxadiazole 以 乙醇 为溶剂， 以70%的产率得到[Zn(3-(2'-pyridyl)-5-phenyl-1,2,4-oxadiazole)2(ClO4)2]
  参考文献：
  名称：

  Synthesis and chemical characterization of CuII, NiII and ZnII complexes of 3,5-bis(2′-pyridyl)-1,2,4-oxadiazole and 3-(2′-pyridyl)5-(phenyl)-1,2,4-oxadiazole ligands

  摘要：

  The synthesis and structural characterization of Ni-II, Cu-II and Zn-II complexes of two chelating 1,2,4-oxadiazole ligands, namely 3,5-bis(2'-pyridyl)-1,2,4-oxadiazole (bipyOXA) and 3-(2'-pyridyl)5-(phenyl)-1,2,4-oxadiazole(pyOXA), is here reported. The formed hexacoordinated metal complexes are [M(bipyOXA)(2)(H2O)(2)](ClO4)(2) and [M(pyOXA)(2)(ClO4)(2)], respectively (M = Ni, Cu, Zn). X-ray crystallography, H-1 and C-13 NMR spectroscopy and C, N, H elemental analysis data concord in attributing them an octahedral coordination geometry. The two coordinated pyOXA ligands assume a trans coplanar disposition, while the two bipyOXA ligands are not. The latter result is a possible consequence of the formation of H-bonds between the coordinated water molecules and the nitrogen atom of the pyridine in position 5 of the oxadiazole ring. The expected splitting of the d metal orbitals in an octahedral ligand field explains the observed paramagnetism of the d(8) and d(9) electron configuration of the nickel(II) and copper(II) complexes, respectively, as determined by the broadening of their NMR spectra. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.03.057