catena-poly[[bromocopper(II)]-μ-(quinolin-8-yloxy)acetato-κ4N,O,O':O''] | 845665-01-2

• 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: catena-poly[[bromocopper(II)]-μ-(quinolin-8-yloxy)acetato-κ4N,O,O':O'']
• CAS: 845665-01-2
• 化学式: Br*C₁₁H₈NO₃*Cu
• 分子量: 345.639
• InChiKey: ZTRRHMDKOKDXPP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.63
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  62.25
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  copper(II) bromide hydrate 、 2-喹啉-8-氧乙酸 在 NaOH 作用下， 以 甲醇 、 水 为溶剂， 生成 catena-poly[[bromocopper(II)]-μ-(quinolin-8-yloxy)acetato-κ4N,O,O':O'']
  参考文献：
  名称：

  A one-dimensional carboxylate-bridged helical copper(II) complex containing (quinolin-8-yloxy)acetate

  摘要：

  The title compound, catena-poly[[bromocopper(II)]-mu-(quinolin-8-yloxy)acetato-kappa(4) N,O,O':O"], [CuBr(C11H8NO3)](n), is a novel carboxylate-bridged one-dimensional helical copper(II) polymer. The metal ion exhibits an approximately square-pyramidal CuBrNO3 coordination environment, with the three donor atoms of the ligand and the bromide ion occupying the basal positions, and an O atom belonging to the carboxylate group of an adjacent molecule in the apical site. Carboxylate groups are mutually cis oriented, and each anti-anti carboxylate group bridges two copper(II) ions via one apical and one basal position [Cu...Cu = 5.677 (1) Angstrom], resulting in the formation of a helical chain along the crystallographic b axis.

  DOI：

  10.1107/s0108270104022048