[Co(1,4-benzenedicarboxylate)(thiabendazole)] | 1447828-31-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: [Co(1,4-benzenedicarboxylate)(thiabendazole)]
• 英文别名: [Co(BDC)(TBZ)]
• CAS: 1447828-31-0
• 化学式: C₈H₄O₄*C₁₀H₇N₃S*Co
• 分子量: 424.362
• InChiKey: LQSMYRTVTGARNO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121.83
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  cobalt(II) nitrate hexahydrate 、 噻菌灵 、 对苯二甲酸 在 sodium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以65%的产率得到[Co(1,4-benzenedicarboxylate)(thiabendazole)]
  参考文献：
  名称：

  Hydrothermal Synthesis and Crystal Structures of Three Novel Cobalt(II) Complexes Based on Thiabendazole Ligand

  摘要：

  Three novel metalorganic complexes, [Co(BDC)(TBZ)] (1), [Co2(PDA)2(H2O)(TBZ)2] (2), and [Co(HBTC)(TBZ)(H2O)] (3) (where BDC = 1,4-benzenedicarboxylate; PDA = 1,4-phenylendi- acetate; TBZ = thiabendazole; BTC = 1,3,5-benzenetricarbox- ylate), have been prepared and characterized by IR spectrum, elemental analysis, thermogravimetric analysis, and single-crystal X-ray diffraction. Both 1 and 3 are one-dimensional chain polymers, where two complexes are constructed from multicarboxylates and cobalt atoms. Complex 2 is a two-dimensional network polymer, where two cobalt ions are bridged by an aqua molecule and two carboxylate anions. The 3D structures of the three complexes are stabilized by - stacking interactions and hydrogen-bonds.

  DOI：

  10.1080/15533174.2012.749896