(nickel(II)(4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine)2Br2)n | 134065-89-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: (nickel(II)(4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine)2Br2)n
• 英文别名: b-nickel(II)(4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine)2Br2
• CAS: 134065-89-7；134065-90-0
• 化学式: C₁₀H₁₆Br₂N₈NiO₂S₂
• 分子量: 562.919
• InChiKey: KIFVVUHQBKTGEA-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：

  4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro<1,2,4>triazine 以 乙醇 为溶剂， 生成 (nickel(II)(4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine)2Br2)n
  参考文献：
  名称：

  Synthesis and structural study of complexes of nickel(II) with 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-l,2,4-tria-zine

  摘要：

  Bis-ligand nickel(II) complexes with 4-amino-2,6-dimethyl-5-oxo-3-thioxo-2,3,4,5-tetrahydro-1,2,4-triazine have been prepared by reaction between the triazine and the corresponding nickel salt in the 2:1 molar ratio, respectively. Conductance, magnetic, and infrared and visible spectroscopy data have been used for structural assignments. Pseudooctahedral structures are proposed for the complexes with the triazine molecule acting either as a monodentate N-donor ligand or a bidentate N- and S-donor ligand. An X-ray structural determination carried out with [Ni(triazine)2(H2O)2](ClO4)2 shows that the triazine acts as a bidentate ligand via the 4-amino nitrogen and the 3-thioxo sulfur (Ni-S = 2.377 angstrom; Ni-N = 2.079 angstrom) and the two H2O molecules complete the hexacoordination of nickel(II) (Ni-O = 2.135 angstrom).

  DOI：

  10.1016/s0020-1693(00)86784-5