dichlorobis{2(1H)-pyridinethione-S}iron(II) | 53128-56-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: dichlorobis{2(1H)-pyridinethione-S}iron(II)
• 英文别名: dichloroiron;1H-pyridine-2-thione
• CAS: 53128-56-6
• 化学式: C₁₀H₁₀Cl₂FeN₂S₂
• 分子量: 349.088
• InChiKey: PPNDIDNIOAFUOS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.86
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  三氯化铁 、 2-巯基吡啶 在 PPh₃ 作用下， 以 乙醇 、 氯仿 为溶剂， 以0%的产率得到dichloroiron(1+);pyridin-1-ide-2-thione;triphenylphosphane
  参考文献：
  名称：

  X-ray crystal and molecular structure of dichlorobis [2(1H)-pyridinethione-S]iron(II)

  摘要：

  Attempts to prepare the mixed ligand complex, FeCl2(pyS)(Ph3P)2 from the reaction of iron(III) and triphenylphosphine(Ph3P) in ethanol instead formed FeCl2(HPyS)2 characterized by X-ray crystallography. The structure was determined by the heavy atom method, using Mo K-alpha diffractometer data, and refined by full-matrix least squares to R = 0.049 for 1123 observed reflections. The molecule possesses twofold symmetry with a distorted tetrahedral geometry about the iron(II) center with S-Fe-S and Cl-Fe-Cl bond angles of 98.76(5)-degrees and 115.79(5)-degrees and Fe-S and Fe-Cl bond distances 2.345(1) angstrom and 2.288(1) angstrom, respectively. Hydrogen bonding between NH and chlorine atoms leads to a polymeric type structure of linked molecules running approximately parallel to the a axis.

  DOI：

  10.1007/bf01158967