bis(2-aminopyrimidinium) tetrabromocopper(II) | 201027-28-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: bis(2-aminopyrimidinium) tetrabromocopper(II)
• 英文别名: copper;pyrimidin-1-ium-2-amine;tetrabromide
• CAS: 201027-28-3
• 化学式: C₈H₁₂Br₄CuN₆
• 分子量: 575.385
• InChiKey: PBMFSKNKWMJGNB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -13.03
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  copper(ll) bromide 、 2-aminopyrimidine 以 氢溴酸 、 乙腈 为溶剂， 生成 bis(2-aminopyrimidinium) tetrabromocopper(II)
  参考文献：
  名称：

  Redetermination of Bis(2-aminopyrimidinium) Tetrabromocopper(II) at 200 and 100K

  摘要：

  The structure of (C4H6N3)(2)[CuBr4] has been studied using X-ray diffraction techniques at 200 and 100 K. The molecular structure has ideal square-planar [CuBr4](2-) groups, bonded to protonated organic molecules not only through hydrogen bonds, but also via the lone pair of one N atom through a coordinative Cu-N bond, so making the other N atom protonated. The copper coordination changes slightly at lower temperatures towards an octahedral coordination. The compound presents Jahn-Teller distortion as confirmed by magnetic measurements; there is antiferromagnetic ordering at T-n = 30 K, with a broad peak indicating that the system is one-dimensional.

  DOI：

  10.1107/s0108270197009876