| 1243274-96-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1243274-96-5
• 化学式: C₂₆H₁₄Cl₂N₆O₆Zn
• 分子量: 642.73
• InChiKey: XZYDRXXNTATIEC-UHFFFAOYSA-L

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：

  zinc(II) nitrate hexahydrate 、 2-(5-chloro-1H-benzimidazol-2-yl)-4-nitrophenol 以 乙酸乙酯 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Spectral characterization and antimicrobial activity of 2-(5-chloro/nitro-1H-benzimidazol-2-yl)-4-bromo/nitro-phenols and their zinc(II) complexes

  摘要：

  2-(5-Chloro/nitro-1H-benzimidazol-2-yl)-4-bromo/nitro-phenols (HL(x); x=1-4) and their complexes with zinc(II)nitrate have been synthesized and characterized. In the tetrahedral mononuclear complexes, the ligands are bidentate, via the imine nitrogen and the phenolate oxygen atoms. The structures of the complexes were confirmed on the basis of elemental analysis, molar conductivity, TGA, FT-IR. NMR, mass and UV-vis spectroscopy. The optimized geometry of the complexes was derived from theoretical calculation in DGauss/DFT level on CACHE program. From theoretical calculations it was found that bromo derivatives of the ligands (HL(1) and HL(3)) have higher stability than the other ligands and similarly, their Zn(II) complexes have higher stability than the other complexes. The antimicrobial activities of the compounds were evaluated using the disk diffusion method against six bacteria and Candida albicans. All of the complexes exhibited selective antibacterial activity on Staphylococcus epidermidis. HL(3) and [Zn(L(1))(2)]center dot H(2)O are more active than Ciprofloxazin and, [Zn(L(2))(2)] has antibacterial activity as potent as Ciprofloxazin against S. epidermidis. (c) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.05.008