di-μ-chloro-1:2κ(2)Cl;3:4κ(2)Cl-hexachloro-1κ(2)Cl,2κCl,3κ(2)Cl,4κCl-bis[μ(3)-(dimethyl)(2-dimethylaminoethyl)ammonioacetato]-1κO:2κO':3κN';-1κN':2κO:3κO'-tetramercury(II) | 163936-57-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: di-μ-chloro-1:2κ(2)Cl;3:4κ(2)Cl-hexachloro-1κ(2)Cl,2κCl,3κ(2)Cl,4κCl-bis[μ(3)-(dimethyl)(2-dimethylaminoethyl)ammonioacetato]-1κO:2κO':3κN';-1κN':2κO:3κO'-tetramercury(II)
• 英文别名: bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]；2-[2-(dimethylamino)ethyl-dimethylazaniumyl]acetate;mercury(2+);octachloride
• CAS: 163936-57-0
• 化学式: C₁₆H₃₆Cl₈Hg₄N₄O₄
• 分子量: 1434.47
• InChiKey: SZSWIDUJRXZRPV-UHFFFAOYSA-F

计算性质

• 辛醇/水分配系数(LogP)：
  -27.23
• 重原子数：
  36
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  86.7
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  mercury dichloride 以 水 为溶剂， 生成 di-μ-chloro-1:2κ(2)Cl;3:4κ(2)Cl-hexachloro-1κ(2)Cl,2κCl,3κ(2)Cl,4κCl-bis[μ(3)-(dimethyl)(2-dimethylaminoethyl)ammonioacetato]-1κO:2κO':3κN';-1κN':2κO:3κO'-tetramercury(II)
  参考文献：
  名称：

  Mercury(II) Chloride Adduct of a Betaine Derivative: Bis[(dimethyl)(2-dimethylaminoethyl)ammonioacetato]tetrakis[dichloromercury(II)]

  摘要：

  The structure of a 4:2 adduct of mercury(II) chloride with a betaine derivative, di-mu-chloro-1:2 kappa(2)Cl;3:4 kappa(2)Cl-hexachloro-1 kappa(2)Cl,2 kappa Cl,3 kappa(2)Cl,4 kappa Cl-bis[mu(3)-(dimethyl)(2-dimethylaminoethyl)ammonioacetato]-1 kappa O:2 kappa O':3 kappa N'; 1 kappa N':2 kappa O:3 kappa O'-tetramercury(II), [Hg-4(C8H18N2O2)(2)Cl-8], has been revealed as a centrosymmetric 16-membered macrocycle fused with two six-membered rings. Each of the two independent Hg-II atoms is in a highly distorted tetrahedral coordination environment.

  DOI：

  10.1107/s0108270194012345