| 175407-61-1

• 分子结构分类: 有机化合物
• CAS: 175407-61-1
• 化学式: CH₆N₃
• 分子量: 60.0787
• InChiKey: DCOSTNFFXXWKRX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.3
• 重原子数：
  4
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78.1
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  、 mercury dichloride 在 HCl 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Poly{guanidinium bis[dichloromercury(II)]-μ₄-chloro}

  摘要：

  Both the [C(NH2)(3)](+) cations and the [Hg2Cl5](-) anions of the title compound occupy special positions on two different twofold axes, one passing through the central Cl atom of the anion (along [100]), the other along a C-N bond of the cation (along [010]). The coordination polyhedron around the I-Ig atom can be described as a distorted octahedron of six Cl atoms, with two short [2.306(5) and 2.322(4)Angstrom], two long [2.905(7) and 2.906(7)Angstrom] and two very long [3.271(6) and 3.344 (6) Angstrom] Hg-Cl distances. In the crystal structure, there are alternate layers of cations and polyanions. Taking the very long Hg-Cl contacts into account, the polyanions are built of Hg2Cl5- units (which can be described as two HgCl2 fragments connected via a chlorine anion), interconnected through the common square-planar coordinated Cl atom. Two factors act to stabilize the structure of the crystal, i.e. the electrostatic interaction between the adjacent layers and the network of N-H ... Cl hydrogen bonds.

  DOI：

  10.1107/s0108270197007944