nickel(II) 2,2'-(cyclohexane-1,2-diylidene)bis(1-carbamothioylhydrazin-1-ide) | 77070-15-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: nickel(II) 2,2'-(cyclohexane-1,2-diylidene)bis(1-carbamothioylhydrazin-1-ide)
• CAS: 77070-15-6
• 化学式: C₈H₁₂N₆S₂*Ni
• 分子量: 315.045
• InChiKey: ASNFJHPGKPVRHD-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  104.96
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  Cyclohexane-1,2-dione bis(thiosemicarbazone) 、 nickel diacetate 以 乙醇 为溶剂， 生成 nickel(II) 2,2'-(cyclohexane-1,2-diylidene)bis(1-carbamothioylhydrazin-1-ide)
  参考文献：
  名称：

  Transition-metal complexes of cyclohexane-1,2-dione bis(thiosemicarbazone)(H₂L). Crystal structures of [ZnL(OH₂)]·dmf (dmf = dimethylformamide) and [Zn(H₂L)Cl]Cl·2H₂O

  摘要：

  The reaction of chlorides and acetates of Fe-II, Ni-II, Cu-II and Zn-II with the polydentate ligand cyclohexane-1,2-dione bis(thiosemicarbazone) (H(2)L) led to the formation of some novel complexes which have been characterized by spectroscopic methods (NMR, IR). The crystal structures of the two compounds [ZnL(OH2)]. dmf (dmf = dimethylformamide) 1 and [Zn(H(2)L)Cl]Cl . 2H(2)O 2 have been determined. In both complexes the co-ordination geometry about zinc is distorted square-planar pyramidal. The axial sites are occupied by a water molecule in 1 or by a chlorine atom in 2. The ligand is dideprotonated in 1 and neutral in 2, so that in 1 a higher pi-delocalization is observed.

  DOI：

  10.1039/dt9950002297