trans-bis(chlorophenoxyisobutyrato-O,O')dipyridinecopper(II) | 204321-52-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: trans-bis(chlorophenoxyisobutyrato-O,O')dipyridinecopper(II)
• 英文别名: trans-bis(pyridine)bis(4-chlorophenoxyisobutyrato-O,O')copper(II)；copper;2-(4-chlorophenoxy)-2-methylpropanoate;pyridine
• CAS: 204321-52-8
• 化学式: C₃₀H₃₀Cl₂CuN₂O₆
• 分子量: 649.03
• InChiKey: PDGPKIDBLQKIJY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  41
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  125
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  吡啶 、 tetrakis(μ-4-chlorophenoxyisobutyrato-O,O')di(methanol-O)dicopper(II) dimethanol solvate 以 甲醇 为溶剂， 生成 trans-bis(chlorophenoxyisobutyrato-O,O')dipyridinecopper(II)
  参考文献：
  名称：

  A Dimeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Methanol and a Monomeric Copper(II) 4-Chlorophenoxyisobutyrate Adduct with Pyridine

  摘要：

  In the crystal structure of tetrakis(mu-4-chlorophenoxyisobutyrato-O,O')di(methanol-O)dicopper(II) dimethanol solvate, [Cu(pciba)(2)(CH3OH)](2) . 2CH(3)OH (pcibaH is 4-chlorophenoxyisobutyric acid, C10H11ClO3). there is a dinuclear Cu-II complex which has a typical cage structure with a Cu ... Cu distance of 2.6437 (4) Angstrom. The magnetic -2J value is 360 cm(-1) (H = -2JS(1) . S2). In the crystal structure of trans-bis(4-chlorophenoxyisobutyrato-O,O')dipyridinecopper(II), [Cu(pciba)(2)-(C5H5N)(2)], the monomeric Cu-II complex has a distorted octahedral coordination.

  DOI：

  10.1107/s0108270197012973