[Cu(2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)(iminodiacetate)]n | 898529-11-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [Cu(2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)(iminodiacetate)]n
• 英文别名: [Cu(NIT3Py)(ida)]n
• CAS: 898529-11-8
• 化学式: C₄H₅NO₄*C₁₂H₁₆N₃O₂*Cu
• 分子量: 428.912
• InChiKey: UPERFRCNPGNOJN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.37
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  154.39
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  copper(II) perchlorate hexahydrate 、 2-(pyrid-3-yl)-4,4,5,5-tetramethylimidazolidine-3-oxide-1-oxyl 、 亚氨基二乙酸 在 Et₃N 作用下， 以 甲醇 、 水 为溶剂， 生成 [Cu(2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide)(iminodiacetate)]n
  参考文献：
  名称：

  Radical-dependent magnetic interactions in two 1-D copper(II) complexes with nitronyl nitroxide and imino nitroxide radicals bridged by iminodiacetate anion

  摘要：

  Two novel one-dimensional (1-D) chain complexes [Cu(NIT3Py)(ida)](n) (1) and [Cu(IM4Py)(ida)](n) (2) (NIT3Py = 2-(3'-pyridinyl)-4,4,5,5-tetramethylimidazoline-1-oxyl-3-oxide, IM4Py = 2-(4'-pyridinyl)-4,4,5,5-tetramethylimidazoline-l-oxyI and ida = iminodiacetate anion), were synthesized and characterized structurally and magnetically. The two complexes crystallize in neutral I-D chains, where Cu(II)-nitroxide cationic units are linked by iminodiacetate anion ligands. The magnetic measurements show that complex 1 exhibits ferromagnetic coupling, while complex 2 exhibits antiferromagnetic interactions between the Cu(11) ion and the nitroxide radical. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2005.10.018