2-(5-methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl | 627846-05-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: 2-(5-methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl
• 英文别名: IM-MeImz
• CAS: 627846-05-3
• 化学式: C₁₁H₁₇N₄O
• 分子量: 221.282
• InChiKey: QWUQKWCCUUCLKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  45.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 2-(5-methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl 、 potassium thioacyanate 以 乙醇 为溶剂， 生成 Mn(IM-MeImz)2(SCN)2*3H2O
  参考文献：
  名称：

  Ferromagnetic behavior of nickel(II) and manganese(II) complexes with IM-MeImz-κ2 N, O mode

  摘要：

  Two complexes of formulas [Ni(IM-Melmz)(2)(SCN)(2)]center dot CH3CH2OH (1) and [Mn(IM-Melmz)(2)(SCN)(2)]-3H2O (2), where IM-Melmz=2-(5-Methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl, have been synthesized and characterized by single-crystal X-ray diffraction. The X-ray analysis demonstrates that IM-Melmz ligand is coordinated to metal ion with the kappa(2) N(Melmz), O(IM) mode to avoid steric hindrance with the methyl group in complex. In the solid state, the complexes 1 and 2 are linked by intermolecular hydrogen bonds, leading to two-dimensional structure. The variable-temperature magnetic susceptibility of both compounds suggests that the metal ions and radicals are ferromagnetically coupled with J = 2.78 and 1.11 cm(-1) for complexes I and 2, respectively. (C) 2008 Published by Elsevier B.V.

  DOI：

  10.1016/j.molstruc.2007.07.025

文献信息

• Synthesis, Crystal Structures and Magnetic Properties of Copper(II) Complexes with Nitronyl Nitroxide Radicals
  作者：Yu-Fang Wang、Li-Ya Wang、Lu-Fang Ma

  DOI：10.1002/zaac.200700322

  日期：2008.1

  Two new copper(II) compounds with imino nitroxide radicals [Cu(IM-MeImz)2 · (SCN)] 0.5[Cu(SCN)4] (1) and [Cu(IM-MeImz)2 · (SCN)]ClO4 · H2O (2) (IM-meImz = 2-(5-methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl) have been synthesized and characterized structurally and magnetically. X-ray analysis demonstrates that complex 1 contains CuII ions in both square-pyramidal and square planar coordination

  两种具有亚氨基氮氧自由基的新型铜 (II) 化合物 [Cu(IM-MeImz)2 · (SCN)] 0.5[Cu(SCN)4] (1) 和 [Cu(IM-MeImz)2 · (SCN)]ClO4 · H2O (2) (IM-meImz = 2-(5-methylimidazol-4-yl)-4,4,5,5-tetramethyl-2-imidazoline-1-oxyl) 已被合成和表征结构和磁性。X 射线分析表明配合物 1 包含方形锥体和方形平面配位中的 CuII 离子。电荷完全分离为 [Cu(IM-MeImz)2(SCN)]+ 阳离子和 0.5[Cu(SCN)4]- 阴离子，比例为 2:1。配合物1通过分子间相互作用连接为一维聚合物。在配合物 2 中，铜原子周围的配位是扭曲的四方锥体，顶端位置被 SCN- 阴离子的一个氮原子占据。二维网络结构是通过分子间氢键相互作用形成和排列的。配合物