| 355121-40-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 355121-40-3
• 化学式: C₂₀H₂₆CuN₈S₂
• 分子量: 506.158
• InChiKey: SPZPPBAGLQYVSS-UHFFFAOYSA-L

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：

  6-methyl-2-formyl4N-dimethylthiosemicarbazone 、 copper(II) acetate monohydrate 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis, characterization, antifungal properties and X-ray crystal structures of five- and six-coordinate copper(II) complexes of the 6-methyl-2-formylpyridine4N-dimethylthiosemicarbazone

  摘要：

  Copper(II) complexes of formulas, [Cu(NNS)(NO3)(H2O)].H2O and [Cu(NNS)(2)] (NNS = anionic form of the 6-methyl-2formylpyridine(4)N-dimethylthiosemicarbazone) have been synthesized and characterized by a variety of physico-chemical techniques. Magnetic and spectroscopic data support a five-coordinate structure for the [Cu(NNS)(NO3)(H2O)].H2O complex and a distorted octahedral structure for the [Cu(NNS)(2)] complex. The crystal structures of both complexes have also been determined by X-ray diffraction. The mono-ligated nitrate-complex has a five-coordinate geometry, with the thiosemicarbazone ligand coordinated to the copper(II) ion as a uninegatively charged NNS tridentate chelating agent via the pyridine nitrogen atom, the azomethine nitrogen atom and the thiolate sulfur atom. The fourth and fifth coordination positions around the copper(II) ion are occupied by the nitrate and aqua ligands, respectively. The bis-ligand copper(II) complex, [Cu(NNS)(2)] has a distorted octahedral structure with two uninegatively charged tridentate NNS thiosemicarbazone ligands coordinated to the copper(II) ion via the pyridine nitrogen atoms, the azomethine nitrogen atoms and the mercaptide sulfur atoms in a meridional arrangement. The ligand is fungitoxic against the phytopathogenic fungi, A. alternata, F.equiseti and M. phaseolina but the complexes are less active than the free ligand. (C) 2001 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(01)00724-0