[Mn(2-(p-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)2(benzoate)2(H2O)2] | 244195-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: [Mn(2-(p-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)2(benzoate)2(H2O)2]
• CAS: 244195-70-8
• 化学式: C₃₈H₄₆MnN₆O₁₀
• 分子量: 801.755
• InChiKey: INQJXIOELUSVCP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：

  manganese (II) acetate tetrahydrate 、 4,4,5,5-tetramethylimidazoline-1-oxyl-2-p-pyridyl-3-oxide 、 苯甲酸 以 乙醇 为溶剂， 生成 [Mn(2-(p-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)2(benzoate)2(H2O)2]
  参考文献：
  名称：

  Manganese (II) Coordination Complexes Involving Nitronyl Nitroxide Radicals

  摘要：

  Three new complexes involving nitronyl nitroxide and PhCOO- or N-3- ligands have been synthesized and structurally and magnetically characterized. These compounds are formulated as Mn(L)(4)(X)(2). nH(2)O, L = 2-(p-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide (PNN) or 2-(p-pyridyl)-4,4,5,5-tetramethylimidazoline-1-oxyl (PN) and X = PhCOO- or N-3-. Compound A [Mn(PNN)(2)(PhCOO)(2)(H2O)(2)] presents the following structural parameters: triclinic, space group P (1) over bar (No. 2), a = 6.859(1) Angstrom, b = 11.271(2) Angstrom, c = 13.978(6) Angstrom, alpha = 88.88(2)degrees, beta = 89.38(2)degrees, gamma = 78.28(2)degrees, Z = 1. The complex has a centrosymmetric distorted octahedral geometry in which the manganese ion is bound to two radical ligands through the nitrogen atom of the pyridine rings, two benzoate groups, and two water molecules. The two compounds B [Mn(PNN)(4)(N-3)(2)] and C [Mn(PN)(4)(N-3)(2)] are isostructural with the following structural parameters: B; triclinic, space group P (1) over bar (No. 2), a = 7.177(4) Angstrom, b = 13.767(3) Angstrom, c = 13.928(4) Angstrom, alpha = 90.20(2)degrees, beta = 102.94(4)degrees, gamma = 91.86(4)degrees, Z = 1; C, triclinic, space group P (1) over bar (No. 2), a = 7.004(2) Angstrom, b = 13.885(1) Angstrom, c = 14.036(2) Angstrom, alpha = 90.34(1)degrees, beta = 101.42(2)degrees, gamma = 92.92(1)degrees, Z = 1. They adopt a centrosymmetric tetragonally distorted octahedral geometry in which the manganese ion is bound to four radical ligands through the nitrogen atom of the pyridine rings, and the azido groups occupy the apical positions. For all three compounds A, B, and C intramolecular ferromagnetic interactions between the Mn(II) ion and the nitronyl nitroxide radicals are observed, but at very low temperatures, intermolecular antiferromagnetic interactions dominate.

  DOI：

  10.1021/ic9905751