catena-poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']] | 110039-62-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: catena-poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']]
• 英文别名: copper;2-[(2-oxidonaphthalen-1-yl)methylideneamino]acetate;hydrate
• CAS: 110039-62-8；1184297-17-3
• 化学式: C₁₃H₉NO₃*Cu*H₂O
• 分子量: 308.781
• InChiKey: JKAHLAAWDJLJCM-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.75
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  76.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 聚甘氨酸 、 2-羟基-1-萘甲醛 以 乙醇 为溶剂， 生成 catena-poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']]
  参考文献：
  名称：

  catena-Poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O′:O′]]

  摘要：

  In the title compound, [Cu(C13H9NO3)(H2O)](n), the Cu-II ion is in a slightly distorted square-pyramidal environment, with four short bonds in the basal plane formed by three donor atoms of the Schiff base and a water O atom. A symmetry-related neighbouring molecule provides an apical carboxylate O atom at a distance of 2.551 (3) Angstrom; this contact leads to the formation of zigzag polymeric chains. In addition, the chain fragments are connected to each other by hydrogen bonding.

  DOI：

  10.1107/s0108270101006060