| 361484-46-0

• 分子结构分类: 有机化合物
• CAS: 361484-46-0
• 化学式: C₇H₈*C₄₀H₄₀CuF₆N₆O₈S₂
• 分子量: 1066.6
• InChiKey: YMSSVSFMFTYEDM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  bis(1,1,1-trifluoro-3-(2-thenoyl)acetonato)copper(II) 、 2-(pyrid-3-yl)-4,4,5,5-tetramethylimidazolidine-3-oxide-1-oxyl 、 甲苯 以 甲苯 为溶剂， 以60%的产率得到
  参考文献：
  名称：

  Copper(II) thenoyltrifluoroacetonate as acceptor matrix in design of heterospin complexes

  摘要：

  Coordination compounds of Cu(II) thenoyltrifluoroacetonate with stable 2-imidazoline nitroxides were synthesized; their structure and magnetic properties were investigated. The complex with a pyrazole nitroxide was isolated as two polymorphous modifications. For both polymorphs, the structure is comprised of Cu(tta)(2)(NITPz1,3Me) molecules shaped as nearly regular pyramids with four O atoms of the two Ita ligands lying at the base. The solid polymorphs are constructed from formal binuclear fragments appearing when the pyramid bases of two neighboring molecules approach each other forming rather short contacts Cu-S (3.848 and 3.596 Angstrom), due to which the polymorphs differ considerably in magnetic properties. In the modification with longer Cu-S distances, there are no exchange interactions between the paramagnetic centers of the neighboring Cu(tta)(2)(NITPz(1,3Mc)) molecules whereas in the polymorph with shorter Cu-S distances the interactions are significant and analogous to those in real dimer molecules based on the Cu(AcO)(2) matrix with a nitroxide. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(01)00596-4