| 255873-79-1

• CAS: 255873-79-1
• 化学式: C₁₃H₁₆N₁₀*Cl₄Hg*H₂O
• 分子量: 672.754
• InChiKey: ALKZRACXJPHGPJ-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：

  盐酸 、 N(9),N(9')-trimethylene-bisadenine 、 mercury dichloride 以 further solvent(s) 为溶剂， 生成
  参考文献：
  名称：

  Structures of tetrachlorometalates [Zn(II) and Hg(II)] of trimethylene-bisadeninium

  摘要：

  The X-ray structure of outer sphere complexes [(H-Ade)(2)(CH2)(3)]ZnCl4-H2O 1 and [(H-Ade)(2)(CH2)(3)]HgCl4. H2O 2 are reported (Ade = adenine). The conformation of the bis-adeninium dication depends on the characteristics of the anion partner. Thus, while in 1, an eclipsed and parallel (based on the direction of the two bis-adeninium moieties) conformation is present; 2 posses a gauche and antiparallel disposition. Although 1 and 2 present identical pattern of hydrogen bonds between the ligand and the tetrachlorometalate(II) anion, stacking interactions between purine rings are observed only in 1. Chelated hydrogen bonds (cis-MCl2... HN+) are not detected. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00221-1