2,3,5,6-tetramethylpyrazinium tetraiodocadmate(II) | 161928-09-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,3,5,6-tetramethylpyrazinium tetraiodocadmate(II)
• 英文别名: cadmium(2+);2,3,5,6-tetramethylpyrazine-1,4-diium;tetraiodide
• CAS: 161928-09-2
• 化学式: C₈H₁₄N₂*CdI₄
• 分子量: 758.241
• InChiKey: KSSXGGDVXXJPNL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -11.44
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  28.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  川芎嗪 、 氢碘酸 、 cadmium(II) iodide 以 水 为溶剂， 生成 2,3,5,6-tetramethylpyrazinium tetraiodocadmate(II)
  参考文献：
  名称：

  Anhydrous 2,3,5,6-Tetramethylpyrazinium Tetraiodocadmate(II) and its Trihydrate, [C8H12N2(H)2][CdI4].xH2O (x = 0, 3)

  摘要：

  The structures of diprotonated 2,3,5,6-tetramethylpyrazinium tetraiodocadmate(II) as an anhydrous salt, (C8H14N2)[CdI4], (1), and as a trihydrate, (C8H14N2)[CdI4].3H2O, (2), have been determined. In both compounds the CdI4(2-) anion has slightly distorted tetrahedral geometry with Cd-I bonds ranging from 2.755 (2) to 2.793 (2) angstrom for (1) and from 2.751 (2) to 2.795 (2) angstrom for (2). In (1), the cations and anions are joined through hydrogen bonds to form layers in the ab plane. In (2) the cations are linked through hydrogen bonds to strings of three hydrogen-bonded water molecules to form infinite chains; there are no significant interactions involving the anions.

  DOI：

  10.1107/s0108270194005147