(4'-methylthio-2,2':6',2''-terpyridyl)dinitratozinc(II) monohydrate | 623159-48-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4'-methylthio-2,2':6',2''-terpyridyl)dinitratozinc(II) monohydrate
• CAS: 623159-48-8
• 化学式: C₁₆H₁₃N₅O₆SZn*H₂O
• 分子量: 486.78
• InChiKey: GIZXZHQIARBPAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  (4'-methylthio-2,2':6',2''-terpyridyl)dinitratozinc(II) monohydrate 以 二甲基亚砜 为溶剂， 生成 bis(4'-methylthio-2,2':6',2''-terpyridyl)zinc(II) nitrate
  参考文献：
  名称：

  Synthesis, characterization and structure of transition metal complexes of 4′-methylthio-2,2′:6′,2″-terpyridyl

  摘要：

  Reaction of 2 equiv. of an ethanolic solution of 4-methylthio-2,2':6',2"-terpyridyl (4-MeSterpy) with M(ClO4)(2) [M = Mn, Fe, Cc, Ni. Cu, Zn] yields stable complexes of the form [M(4-MeSterpy)(2)](ClO4)(2).nH(2)O. Single crystal X-ray diffraction studies of the manganese. iron and nickel complexes show a distorted octahedral geometry around each metal center with the two ligands meridinally aligned. The iron and nickel complexes occur as triclinic crystals in the space group P 1 while the manganese complex is monoclinic in the space group P2(1/c). The NMR spectra for the diamagnetic iron and zinc complexes show strong upfield shifts for two of the aromatic resonances. The mono-4-MeSterpy complexes, Zn(4'-MeSterpy)Cl-2 and Zn(4'-MeSterpy)(NO3)(2) were also prepared and their structures determined for comparison with the bis complexes. The chloride complex crystallizes in P (1) over bar while the nitrate complex is in the space group, C-2/c. Strong upfield shifts of the ligand resonances are not observed in the NMR spectra of these complexes leading to the conclusion that the upfield shifts arise from through space shielding effects between the ligands in the bis(4'-MeSterpy) compounds. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00175-0
• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 4'-(甲硫基)-2,2':6',2''-三联吡啶 以 乙醇 为溶剂， 以88%的产率得到(4'-methylthio-2,2':6',2''-terpyridyl)dinitratozinc(II) monohydrate
  参考文献：
  名称：

  Synthesis, characterization and structure of transition metal complexes of 4′-methylthio-2,2′:6′,2″-terpyridyl

  摘要：

  Reaction of 2 equiv. of an ethanolic solution of 4-methylthio-2,2':6',2"-terpyridyl (4-MeSterpy) with M(ClO4)(2) [M = Mn, Fe, Cc, Ni. Cu, Zn] yields stable complexes of the form [M(4-MeSterpy)(2)](ClO4)(2).nH(2)O. Single crystal X-ray diffraction studies of the manganese. iron and nickel complexes show a distorted octahedral geometry around each metal center with the two ligands meridinally aligned. The iron and nickel complexes occur as triclinic crystals in the space group P 1 while the manganese complex is monoclinic in the space group P2(1/c). The NMR spectra for the diamagnetic iron and zinc complexes show strong upfield shifts for two of the aromatic resonances. The mono-4-MeSterpy complexes, Zn(4'-MeSterpy)Cl-2 and Zn(4'-MeSterpy)(NO3)(2) were also prepared and their structures determined for comparison with the bis complexes. The chloride complex crystallizes in P (1) over bar while the nitrate complex is in the space group, C-2/c. Strong upfield shifts of the ligand resonances are not observed in the NMR spectra of these complexes leading to the conclusion that the upfield shifts arise from through space shielding effects between the ligands in the bis(4'-MeSterpy) compounds. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00175-0