bis[4-(pyridin-4-yl)pyrimidinyl]disulfide | 1192182-30-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: bis[4-(pyridin-4-yl)pyrimidinyl]disulfide
• 英文别名: 4,4'-di(4-pyridyl-4-pyrimidinyl)disulfide；4,4'-Di-4-pyridyl-2,2'-dithiodipyrimidine；4-pyridin-4-yl-2-[(4-pyridin-4-ylpyrimidin-2-yl)disulfanyl]pyrimidine
• CAS: 1192182-30-1
• 化学式: C₁₈H₁₂N₆S₂
• 分子量: 376.465
• InChiKey: QSRVPUOYORLUTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  bis[4-(pyridin-4-yl)pyrimidinyl]disulfide 、 iron(II) chloride 以 甲醇 、 二氯甲烷 为溶剂， 以53%的产率得到[FeCl₂(4,4'-di(4-pyridyl-4-pyrimidinyl)disulfide)2]n
  参考文献：
  名称：

  One-dimensional helical Zn(II) and repeated rhomboidal Fe(II) coordination chains containing the twisted ligand 4,4′-di(4-pyridyl-4-pyrimidinyl)disulfide

  摘要：

  Reactions of 4-PPDS (4-PPDS = 4,4'-di(4-pyridyl-4-pyrimidinyl)disulfide) with Zn(OAc)(2) and FeCl2 produced a one-dimensional helical chain {[Zn(CH3CO2)(2)(4-PPDS)]center dot H2CO3}(n) (1) and a one-dimensional repeated rhomboidal coordination chain [FeCl2(4-PPDS)(2)](n) (2), respectively. One-dimensional helical chain (1) is built from the alternating links of one Zn(II) ion and one 4-PPDS ligand with the same chirality whereas one-dimensional repeated rhomboidal chain (2) is constructed by alternated linking of one Fe(II) ion and two enantiomers of 4-PPDS ligands. Complex (1) has the unexpected carbonic acid in its crystal structure, which is assumed to be transformed from carbon dioxide. The solvent-accessible volume in complex (2) is approximate 151.4 angstrom(3) per unit cell volume. Both complexes in the solid state exhibit intense photoluminescences with the emission maxima around 365 nm upon excitation at 260 nm. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2009.07.022

文献信息

• Two 1D Coordination Polymers with Bis[4-(pyridin-4-yl)pyrimidinyl]disulfide (4-ppds) as Bridging Ligand
  作者：Hai-Bin Zhu、Yan-Fang Wu、Ru-Yu Shan、Yun-Di Chen、Yong-Bing Lou

  DOI：10.1002/zaac.201300685

  日期：2014.7

  Solution assembly of heterocyclic disulfide ligand, 4-ppds 4-ppds = bis[4-(pyridin-4-yl)pyrimidinyl]disulfide}, with Cu(OAc)2 and ZnI2 resulted in two 1D (one-dimensional) coordination polymers 1 and 2, which were well characterized by infrared spectroscopy, elemental analysis, powder X-ray diffraction, single-crystal X-ray diffraction, diffuse-reflectance UV/Vis as well as photoluminescence spectroscopy

  杂环二硫化物配体，4-ppds 4-ppds = bis[4-(pyridin-4-yl)pyrimidinyl]disulfide} 的溶液组装，与 Cu(OAc)2 和 ZnI2 产生两个一维（一维）配位聚合物1 和 2，它们通过红外光谱、元素分析、粉末 X 射线衍射、单晶 X 射线衍射、漫反射 UV/Vis 以及光致发光光谱进行了很好的表征。单晶 X 射线晶体学揭示了 1 显示了由桨轮 Cu2(OAc)4 双铜单元和具有相反构型的 4-ppds 配体交替连接构成的非手性锯齿状链结构，而 2 显示了由交替连接构成的螺旋链结构四面体锌原子和具有相同手性（P-或M-构型）的4-ppds配体。