[bis(6-methyl-2-pyridylmethyl) sulfide-N,N',S]bis(trifluoromethylsulfonato-O)copper(II) | 175482-69-6

• 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: [bis(6-methyl-2-pyridylmethyl) sulfide-N,N',S]bis(trifluoromethylsulfonato-O)copper(II)
• 英文别名: copper;dichloromethane;2-methyl-6-[(6-methylpyridin-2-yl)methylsulfanylmethyl]pyridine;trifluoromethanesulfonate
• CAS: 175482-69-6
• 化学式: CH₂Cl₂*C₁₆H₁₆CuF₆N₂O₆S₃
• 分子量: 690.98
• InChiKey: XTEINPRGCYXJRG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.05
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  182
• 氢给体数：
  0
• 氢受体数：
  15

反应信息

• 作为产物：
  描述：

  copper(II) bis(trifluoromethanesulfonate) 、 bis(6-methyl-2-pyridylmethyl) thioether 以 乙醇 为溶剂， 以82%的产率得到[bis(6-methyl-2-pyridylmethyl) sulfide-N,N',S]bis(trifluoromethylsulfonato-O)copper(II)
  参考文献：
  名称：

  A Bis(6-methyl-2-pyridylmethyl) Thioether (DMPT) Copper(II) Complex, [Cu(OSO2CF3)2(C14H16N2S)].CH2Cl2

  摘要：

  The X-ray crystal structure determination of the title copper derivative, [bis(6-methyl-2-pyridylmethyl) sulfide-N,N', S] bis(trifluoromethylsulfonato-O)copper (II) dichloromethane solvate, shows that this compound contains monomeric [Cu(DMPT)OSO2CF3)(2)] molecules in which the Cu-II ion in surrounded by a tridentate DMPT ligand [Cu-N1 2.001(4), Cu-N2 1.977(4) and Cu-S3 2.319 (1) Angstrom] and by a pair of trifluoromethylsulfonato ligands [Cu-O1 2.205(4) and Cu-O4 2.043 (3) Angstrom] in a distorted tetragonal-pyramidal environment.

  DOI：

  10.1107/s0108270195012649