aqua(2,2'-bi-1H-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate | 850411-49-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: aqua(2,2'-bi-1H-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate
• 英文别名: dicopper;2-(carboxylatomethylamino)acetate;2-(1H-imidazol-2-yl)-1H-imidazole;dichloride;dihydrate
• CAS: 850411-49-3
• 化学式: C₄H₅ClCuNO₄*C₆H₈ClCuN₄O*H₂O
• 分子量: 499.257
• InChiKey: GBQYDTPNQWETFL-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -10.77
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  152
• 氢给体数：
  5
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  联咪唑 、 copper(II) choride dihydrate 、 亚氨基二乙酸 在 HCl 作用下， 以 水 为溶剂， 生成 aqua(2,2'-bi-1H-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate
  参考文献：
  名称：

  Aqua(2,2′-bi-1H-imidazole)chlorocopper(II) chloro(iminodiacetato)copper(II) monohydrate

  摘要：

  In the title compound, [CuCl(C6H6N4)(H2O)][Cu(C4H5NO4)Cl] . H2O, the Cu-II atom in the cation is coordinated by one Cl- ion, two N atoms of the 2,2'-biimidazole ligand and one aqua ligand. Within the anion, the Cu (II) atom is bonded to one Cl- ion, and one N and two O atoms of the iminodiacetate ligand. Neighbouring cations and anions are connected to each other by Cu ... Cl semi-coordination bonds of 2.830 ( 12) and 3.071 ( 12) Angstrom, forming a Cu2Cl2 rectangular unit. The dinuclear units further link into a polymeric chain along the a axis through Cu ... O-aqua interactions of 2.725 ( 3) Angstrom. Including the long coordination bonds, the geometries around the Cu atoms in the cation and anion are square-pyramidal and distorted octahedral, respectively.

  DOI：

  10.1107/s0108270104028732