mercury(II) 5-pyridin-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-thione diiodide | 672916-84-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: mercury(II) 5-pyridin-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-thione diiodide
• CAS: 672916-84-6
• 化学式: C₁₀H₇HgI₂NS₅
• 分子量: 755.901
• InChiKey: SXLGHMFTZHJRMM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.12
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.89
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  mercury(II) iodide 、 5-(2-pyridyl)-5,6-dihydro[1,3]dithiolo[4,5-b][1,4]dithiine-2-thione 以 二氯甲烷 、 乙腈 为溶剂， 以74%的产率得到mercury(II) 5-pyridin-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-thione diiodide
  参考文献：
  名称：

  Novel mercury(II) complexes of 1,3-dithiole-2-thiones containing the 2-pyridyl moiety: syntheses, X-ray crystal structures and solution behavior

  摘要：

  The mercury(II) complexes of 5-pyridin-2-yl-5,6-dihydro-[1,3]dithiolo[4,5-b][1,4]dithiin-2-thione (2PyEDT-DTT: 1), [Hg(2PyEDT-DTT)X-2] (X=Cl (2a), Br (2b) and I (2c)) were obtained from the reaction of HgX2 and 2PyEDT-DTT. These complexes adopt a dimeric arrangement of [Hg(2PyEDT-DTT)X-2](2) through intermolecular Hg...N and Hg...S interactions. According to the FT-IR/UV-Vis/NMR spectroscopy data, these intermolecular interactions are cleaved in media containing trace H2O. [Hg(2PyDT-DTT)(2)] (3; 2PyDT-DTT: 5-(1-pyridin-2-yl-vinylsulfanyl)-2-thioxo-[1,3]dithiole-4-thiolate) was isolated from the filtrate of 2. The Hg(II) ion is located in a center of symmetry and adopts a distorted octahedral geometry with four sulfur atoms (two from the thiolate groups and two from the sulfide groups) and two nitrogen atoms from the pyridyl group. The time-dependent solution U-V-Vis and H-1 NMR measurements showed the transformation of 2PyDT-DTT to 2PyEDT-DTT caused by trace H2O in organic solvents. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.09.028