diaqua(2-ethylphenyliminodiacetato-N,O,O')zinc(II) | 176434-77-8

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: diaqua(2-ethylphenyliminodiacetato-N,O,O')zinc(II)
• 英文别名: zinc;2-[N-(carboxylatomethyl)-2-ethylanilino]acetate;dihydrate
• CAS: 176434-77-8
• 化学式: C₁₂H₁₇NO₆Zn
• 分子量: 336.66
• InChiKey: VNCXBSSZQMDNKA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -3.1
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  85.5
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  zinc(II) nitrate hexahydrate 、 N-(2-ethylphenyl)-N-(carboxymethyl)glycine 以 吡啶 、 水 为溶剂， 生成 diaqua(2-ethylphenyliminodiacetato-N,O,O')zinc(II)
  参考文献：
  名称：

  Diaqua(2-ethylphenyliminodiacetato-N,O,O')zinc(II)

  摘要：

  The title complex, [Zn(C12H13NO4)(H2O)(2)], has a coordination polyhedron around the Zn-II atom that can be described as a square-based pyramid strongly distorted towards a trigonal bipyramid. The basal plane is defined by one N and two O atoms belonging to the tridentate ligand and one water O atom, while the axial position is occupied by another water O atom, The discrete molecules are grouped through hydrogen bonding into parallel double layers with the phenyl groups pointing outwards.

  DOI：

  10.1107/s0108270195014132