[(copper(II)(C6H5C(O)NNC(CH3)C5H4N)(μ-1,3-thiocyanate)]n | 942481-22-3

• 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: [(copper(II)(C6H5C(O)NNC(CH3)C5H4N)(μ-1,3-thiocyanate)]n
• CAS: 942481-22-3
• 化学式: CNS*C₁₄H₁₂N₃O*Cu
• 分子量: 359.898
• InChiKey: SKLZZPAPQSMSCK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  78.72
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  2-acetylpyridine benzoylhydrazone 、 copper(II) perchlorate hexahydrate 、 sodium thiocyanide 以 甲醇 、 水 为溶剂， 以53%的产率得到[(copper(II)(C6H5C(O)NNC(CH3)C5H4N)(μ-1,3-thiocyanate)]n
  参考文献：
  名称：

  Two new pseudohalide bridged di- and poly-nuclear copper(II) complexes: Synthesis, crystal structures and magnetic studies

  摘要：

  Two new pseudohalide bridged di- and poly-nuclear copper(II) complexes [Cu-2(L)2(mu(1.1)-N-3)(2)] (1), [Cu(L)(mu(1.3)-NCS)](n) (2), [LH = C6H5C(O)NHN=C(CH3)C5H4N] have been synthesised and characterised by elemental analysis, IR and UV-Vis spectral studies. Structures of both the complexes have been established by X-ray crystallography. A tridentate hydrazone ligand (LH) obtained by the condensation of benzhydrazide and 2-acetylpyridine is used for the preparation of complexes 1 and 2. Variable temperature magnetic susceptibility measurement studies indicate there is a weak ferromagnetic interaction between the two copper(II) ions in 1 (J = +0.75 cm(-1)), while weak antiferromagnetic interaction is observed with J values -0.23 cm(-1) for 2. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.12.015