[Ni(O2CMe)2(2-(hydroxymethyl)pyridine)2] | 1197838-18-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ni(O2CMe)2(2-(hydroxymethyl)pyridine)2]
• CAS: 1197838-18-8
• 化学式: C₁₆H₂₀N₂NiO₆
• 分子量: 395.035
• InChiKey: WVHWAMOWVMQWSM-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：

  2-吡啶甲醇 、 nickel(II) acetate tetrahydrate 以 水 为溶剂， 以80%的产率得到[Ni(O2CMe)2(2-(hydroxymethyl)pyridine)2]
  参考文献：
  名称：

  A mononuclear complex and a cubane cluster from the initial use of 2-(hydroxymethyl)pyridine in nickel(II) carboxylate chemistry

  摘要：

  The reactions of 2-(hydromethyl)pyridine, hmpH, with Ni(O2CMe)(2)center dot 4H(2)O in H2O, in the absence of counterions, have been investigated. The synthetic study has led to the two new complexes [Ni(O2CMe)(2)(hmpH)(2)] (1) and [Ni-4(O2CMe)(4)(hmp)(4)(H2O)(2)] (2). Complex 1 can also be transformed into 2 by reacting with an excess of NaCH in H2O. The structures of 1 and 2.2,25H(2)O center dot 0.5(1,4-dioxane) have been solved by single-crystal, X-ray crystallography. The octahedral Ni-II center in centrosymmetric 1 is coordinated by two 1.10 (Harris notation) MeCO2- groups and two N,O-chelating (1.11) hpmH ligands. The tetranuclear cluster molecule of 2.2.25H(2)O center dot 0.5(1,4-dioxane) possesses a distorted cubane {Ni-4([mu(3)-OR')(4)}(4+) core [R' = (2-pyridyl)CH2-] with the Ni-II ions and the oxygen atoms from the 3.31 hmp(-) ligands occupying alternate vertices of the cube. Two 2.11 MeCO2- groups cap two opposite faces of the cube, while two 1.10 MeCO2- ions and two aqua ligands complete the octahedral coordination sphere of the metal centers. Characteristic IR bands for the two complexes are discussed in terms of the nature of bonding and the structures of the two complexes. The variable-temperature magnetic properties of 2 have been modeled with two J values, and reveal anti ferromagnetic exchange interactions between the four Ni-II ions to give a diamagnetic ground state. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.06.049