di-μ-bromo-[aqua-(3-hydroxypyridine-2-carboxylato-N,O)(3-hydroxypyridinium-2-carboxylato-O)cadmium(II)] | 910329-06-5

• 英文名称: di-μ-bromo-[aqua-(3-hydroxypyridine-2-carboxylato-N,O)(3-hydroxypyridinium-2-carboxylato-O)cadmium(II)]
• 英文别名: [cadmium(II)Br(3-hydroxypicolinic acid(-H)(1-))(3-hydroxypicolinic acid)(H2O)]2
• CAS: 910329-06-5
• 化学式: C₂₄H₂₂Br₂Cd₂N₄O₁₄
• 分子量: 975.085
• InChiKey: JTGNOOCRHNJGGE-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3-羟基-2-吡啶甲酸 、 cadmium(II) bromide tetrahydrate 、 水 以 水 为溶剂， 以79.5%的产率得到di-μ-bromo-[aqua-(3-hydroxypyridine-2-carboxylato-N,O)(3-hydroxypyridinium-2-carboxylato-O)cadmium(II)]
  参考文献：
  名称：

  Coordination modes of 3-hydroxypicolinic acid (OH-picH): Synthesis and characterization of cadmium(II) complexes

  摘要：

  Two complexes of 3-hydroxypicolinic acid and cadmium(II) chloride and bromide, namely di-t-halo-[aqua-(3-hydroxypyridine-2carboxylato-N,O)(3-hydroxypyridinium-2-carboxylato-O)cadmium(II)], halo = Cl- (1), Br- (2) have been prepared and characterized by spectroscopic, thermal and X-ray crystallographic methods. The IR and thermal data correlate with the structures of the complexes in the solid state. The vibration bands of diagnostic value are compared to the values of the free acid. The complexes I and 2 are iso-structural. The molecular structures of complexes 1 and 2 comprise centro symmetrical dimers formed via di-mu-halide bridges. The distorted octahedral cadmium coordination environment contains two halide atoms, one water molecule and two 3-OH-pic ligands, one bonded to the cadmium ion in a monodentate mode through the carboxylate 0 atom and the other in the bidentate NO-chelated mode forming a five-membered chelate ring. An extensive network of the O-(HO)-O-... and N-(HO)-O-... hydrogen bonds are found. From H-1 and C-13 NMR measurements it was determined that in dimethylformamide solution complexes 1 and 2 do not exist. Cd(OH-pic)(2) is the only compound that was identified instead. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.02.010