tetrakis(N-butyl-N-phenyldithiocarbamato)dizinc(II) | 1226815-04-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: tetrakis(N-butyl-N-phenyldithiocarbamato)dizinc(II)
• CAS: 1226815-04-8
• 化学式: C₄₄H₅₆N₄S₈Zn₂
• 分子量: 1028.26
• InChiKey: ZSKDMXZXRCLAJE-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  12.49
• 重原子数：
  58.0
• 可旋转键数：
  16.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  12.96
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  ammonium N-butyl-N-phenyldithiocarbamate 、 zinc(II) chloride 以 水 为溶剂， 以42%的产率得到tetrakis(N-butyl-N-phenyldithiocarbamato)dizinc(II)
  参考文献：
  名称：

  Synthesis and characterization of metal complexes of N-alkyl-N-phenyl dithiocarbamates

  摘要：

  Ammonium N-ethyl-N-phenyl dithiocarbamate (L-1) and N-butyl-N-phenyl dithiocarbamate (L-2), and their group 12 metal complexes formulated as Zn2L41, CcL(2)(1), HgL21, Zn2L42, CdL22, HgL22 have been synthesized and characterized by elemental analyses, IR, H-1 and C-13 NMR spectroscopy. The crystal structures of the zinc complexes (Zn2L41 and Zn2L42) are also reported. Single crystal analyses of the two complexes revealed the presence of distorted trigonal bipyramidal and tetrahedral coordination geometry about the metal ions. The dithiocarbamate acts as bidentate chelating and bidentate bridging ligands between the metal ions giving centrosymmetric dimeric molecules. The apparent substitution of the ethyl substituents in L-1 by the butyl groups in L-2 results in profound change in structure. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.01.011