| 154676-74-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• CAS: 154676-74-1；74354-71-5；73534-04-0
• 化学式: C₁₂H₁₆Cl₂N₄S₂Zn
• 分子量: 416.714
• InChiKey: JNUTYVHDVCYRBD-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

• 作为反应物：
  描述：

  生成 {Zn(4,6-dimethylpyrimidine-2-thionate)2} 、 zinc(II) chloride
  参考文献：
  名称：

  Synthesis, spectroscopic study and crystal structure of bis (4,6-dimethyl-2-thiopyrimidinium) tetrachlorozincatum(II) monohydrate and its solid state transformations

  摘要：

  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.

  DOI：

  10.1016/0020-1693(95)04634-l
• 作为产物：
  描述：

  bis(4,6-dimethyl-2-thiopyrimidinium) tetrachlorozincatum(II) monohydrate 生成
  参考文献：
  名称：

  Synthesis, spectroscopic study and crystal structure of bis (4,6-dimethyl-2-thiopyrimidinium) tetrachlorozincatum(II) monohydrate and its solid state transformations

  摘要：

  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.

  DOI：

  10.1016/0020-1693(95)04634-l

文献信息

• Zinc(II), cadmium(II) and mercury(II) complexes of neutral and deprotonated 4,6-dimethylpyrimidine-2(1H)-thione
  作者：R. Battistuzzi、G. Peyronel

  DOI：10.1016/0584-8539(80)80101-2

  日期：1980.1