[Ni(4-hydroxy-pyridine-2,6-dicarboxylate)(2-(4'-pyridyl)-4,4,5,5-tetramethyl-imidazoline-1-oxyl-3-oxide)2(H2O)] | 1429505-51-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: [Ni(4-hydroxy-pyridine-2,6-dicarboxylate)(2-(4'-pyridyl)-4,4,5,5-tetramethyl-imidazoline-1-oxyl-3-oxide)2(H2O)]
• CAS: 1429505-51-0
• 化学式: C₃₁H₃₇N₇NiO₁₀
• 分子量: 726.366
• InChiKey: NXOKVXGJWIPLKQ-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：

  4-氧代-1,4-二氢-2,6-吡啶二甲酸 、 nickel(II) perchlorate hexahydrate 、 4,4,5,5-tetramethylimidazoline-1-oxyl-2-p-pyridyl-3-oxide 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 以35%的产率得到[Ni(4-hydroxy-pyridine-2,6-dicarboxylate)(2-(4'-pyridyl)-4,4,5,5-tetramethyl-imidazoline-1-oxyl-3-oxide)2(H2O)]
  参考文献：
  名称：

  Synthesis, crystal structures and magneto-structural correlations study of three 3d metal–radical heterospin complexes

  摘要：

  Three heterospin complexes [M(NIT4Py)(2)(cda)H2O] (M = Cu(II) (1), Ni(II) (2), Co(II) (3)) with various paramagnetic 3d metal ions and pyridyl-substituted nitronyl nitroxide radical (NIT4Py = 2-(4'-pyridyl)-4,4,5,5- tetramethyl-imidazoline-1-oxyl-3-oxide, H(2)cda = 4-hydroxy-pyridine-2,6-dicarboxylic acid) have been synthesized, characterized structurally and magnetically. The single crystal structures show that complexes 1-3 are isomorphic, and have 2D supramolecular network consisting of [M(NIT4Py)(2)(cda)H2O] with three paramagnetic centers. The magnetic measurements indicated that complexes 1-3 exhibit all antiferromagnetic interactions between M(II) and radicals with J(Cu-rad) = -7.30 cm(-1), J(Ni-rad) = -3.58 cm(-1) and J(Co-rad) = -1.85 cm(-1), respectively. Their magnetic behaviors were interpreted in terms of the spin polarization mechanism of the pi-electrons of NIT4Py and the orthogonality of 3d magnetic orbital of M(II) ion and the 2p pi orbital on the pyridine rings of NIT4Py. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.11.013