| 1426175-04-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 1426175-04-3
• 化学式: C₄₀H₂₄Cd₂N₁₆S₄*H₂O
• 分子量: 1099.84
• InChiKey: KUYCPTMDLQVZHB-UHFFFAOYSA-J

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：

  potassium thioacyanate 、 3,5,6-三-2-吡啶基-1,2,4-三嗪 、 cadmium(II) acetate dihydrate 以 甲醇 、 水 为溶剂， 反应 48.0h， 以72%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structures of the first cadmium complexes of 3,5,6-tris(2-pyridyl)-1,2,4-triazine ligand

  摘要：

  Three new cadmium(II) complexes, [Cd-2(TPT)(2)(SCN)(4)]center dot H2O (1), [Cd(TPT)I-2] (2) and [Cd(TPT)Br-2] (3) ("TPT" is the abbreviation of 3,5,6-tris(2-pyridyl)-1,2,4-triazine), have been synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy, and studied by thermal gravimetric as well as X-ray single crystal diffraction. Two anions of four thiocyanate anions bridge two Cd-II ions to form a dinuclear complex, I, and iodide and bromide ions produce two halide-coordinated [Cd(TPT)X-2] complexes (X = I for 2 and Br for 3). Cadmium(II) in 1 is six coordinate, CdN4S2 and in 2 and 3 is five coordinate, CdN3I2 and CdN3Br2. The supramolecular features in these complexes are guided/controlled by N center dot center dot center dot O hydrogen bonding (in 1) and weak directional intermolecular C-H center dot center dot center dot N, Cg center dot center dot center dot I, C-H center dot center dot center dot Br and pi-pi interactions. (c) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.09.070