bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]gold(III), 18-crown-6 ether sodium salt | 1159259-29-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]gold(III), 18-crown-6 ether sodium salt
• CAS: 1159259-29-6
• 化学式: C₁₂H₂₄O₆*C₁₄H₁₀AuN₂S₄*Na
• 分子量: 818.786
• InChiKey: CJNUKTUMVHKXSA-DQINGTEJSA-J

物化性质

• 熔点：
  145-146 °C(Solvent: Dichloromethane; Hexane)

计算性质

• 辛醇/水分配系数(LogP)：
  0.05
• 重原子数：
  40.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.16
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为产物：
  描述：

  sodium methylate 、 18-冠醚-6 、 4-(pyridin-4-yl)-1,3-dithiol-2-one 、 potassium tetrachloroaurate(III) dihydrate 以 甲醇 为溶剂， 以44%的产率得到bis[1-(4-pyridin-4-yl)-1,2-ethylenedithiolato]gold(III), 18-crown-6 ether sodium salt
  参考文献：
  名称：

  Complexes based on asymmetrically substituted pyridine–dithiolene ligands [M(4-pedt)2] (M=Au, Cu, Ni; 4-pedt=1-(pyridin-4-yl)-ethylene-1,2-dithiolate): Synthesis, structure and physical properties

  摘要：

  The monoanionic Ni, Au and Cu bisdithiolene complexes based on the 1-(pyridin-4-yl)-ethylene-1,2-dithiolate were prepared and isolated as [PPh4](+), [n-Bu4N](+) and [Na(18C6)](+) salts which were characterised by single-crystal X-ray diffraction, cyclic voltammetry, EPR and magnetic susceptibility measurements. All the complexes adopt a square planar coordination geometry with a trans arrangement of the substituent pyridine rings whose planes are rotated from 13 degrees to 33 degrees relatively to the central MS4 core.The C-C and C-S bond lengths are consistent with ene-1,2-dithiolate form of the ligand and M-III oxidation state. The Ni complexes are paramagnetic with an effective magnetic moment of similar to 1.7 BM. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.01.015