{Zn(4,6-dimethylpyrimidine-2-thionate)2} | 153913-67-8

• 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: {Zn(4,6-dimethylpyrimidine-2-thionate)2}
• CAS: 153913-67-8
• 化学式: C₁₂H₁₄N₄S₂Zn
• 分子量: 343.792
• InChiKey: RMLXMNDMBYIEBE-UHFFFAOYSA-L

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：

  4,6-二甲基-2-巯基嘧啶 、 锌 以 乙腈 为溶剂， 生成 {Zn(4,6-dimethylpyrimidine-2-thionate)2}
  参考文献：
  名称：

  Electrochemical synthesis of zinc(II) complexes of 4,6-dimethylpyrimidine-2-thione: The crystal structure of pyridine-bis(4,6-dimethylpyrimidine-2-thiolato)zinc(II)

  摘要：

  Electrochemical oxidation of zinc in a solution of 4,6-dimethylpyrimidine-2-thione (4,6-Me(2)pymtH) in acetonitrile afforded the compound [Zn(4,6-Me(2)pymt)(2)]. When pyridine (py), 1,10-phenanthroline (phen) or 2,2-bipyridine (bipy) were added to the electrolytic phase [Zn(4,6-Me(2)pymt)(2)py], [Zn(4,6-Me(2)pymt)(2)phen] or [Zn(4,6-Me(2)pymt)(2)bipy] were obtained. The crystal structure of pyridine-bis(4,6-dimethylpyrimidine-2-thio-lato)zinc(II) was determined; the zinc atom has distorted trigonal bipyramidal geometry. The IR and H-1 and C-13 NMR spectra of the complexes are discussed and related to their structures.

  DOI：

  10.1016/s0277-5387(00)86603-6

文献信息

• Synthesis, spectroscopic study and crystal structure of bis (4,6-dimethyl-2-thiopyrimidinium) tetrachlorozincatum(II) monohydrate and its solid state transformations
  作者：M.L. Godino-Salido、R. López-Garzón、M.D. Gutierrez-Valero、J.M. Moreno

  DOI：10.1016/0020-1693(95)04634-l

  日期：1995.8

  The solid complex [H(2)L],[ZnCl4]. H2O (HL=4,6-dimethyl-2-thiopyrimidine) has been obtained and characterized by IR, H-1 and C-13 NMR spectroscopies and thermal techniques. The molecular structure of this complex has been established by single crystal X-ray diffraction. Crystals of the compound are orthorhombic, of space group P2(1)2(1)2(1) with cell constants a = 7.153(2), b = 14.624(3), c = 20.499(4) Angstrom, Z = 6 and D-c = 1.572 g cm(-3). The structure was solved and refined to R = 0.049 (R(w) = 0.029). The asymmetric complex unit consists of two 4,6-dimethyl-2-thiopyrimidinium cations, a [ZnCl4](2-) anion and a water molecule. The Zn(II) centres are tetracoordinated by chloride ions giving a tetrahedral arrangement. This asymmetric unit is stacked along the b axis giving rise to a packing of pyrimidine rings and [ZnCl4](2-) anions which are linked by hydrogen bonds involving chlorine atoms, NH groups and water molecules. The thermal treatment of [H(2)L](2)[ZnCl4]. H2O leads to two different solid complexes [Zn(HL)(2)Cl-2] and [ZnL(2)] which have been previously obtained and characterized by us.