[Zn(2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(naphthalene-1,4-dicarboxylic acid)]n | 1539299-16-5

• 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: [Zn(2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(naphthalene-1,4-dicarboxylic acid)]n
• 英文别名: [Zn(mip)(NDC)]n
• CAS: 1539299-16-5
• 化学式: C₁₂H₆O₄*C₂₀H₁₄N₄O*Zn
• 分子量: 605.925
• InChiKey: KRAIVLSWILRLCL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  42.0
• 可旋转键数：
  4.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.03
• 拓扑面积：
  143.95
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  1,4-萘二甲酸 、 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline 、 zinc(II) chloride 在 sodium hydroxide 作用下， 反应 72.0h， 以81%的产率得到[Zn(2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline)(naphthalene-1,4-dicarboxylic acid)]n
  参考文献：
  名称：

  Hydrogen bonded supra-molecular framework in inorganic–organic hybrid compounds of Mn(II) and Zn(II): Syntheses, structures, and photoluminescent studies

  摘要：

  In our efforts to tune the structures of compounds by selection of polycarboxylic acid ligands and N-heterocyclic ligands, two novel unreported compounds [Mn(cipt)(m-BDC)center dot H2O](n)(1) and [Zn(mip)(NDC)](n)(2) were obtained by hydrothermal reaction, where cipt = 2-(3-chlorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, m-BDC = isophthalic acid, mip = 2-(3-methoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline, and NDC = naphthalene-1,4-dicarboxylic acid. All compounds have been characterized by IR, elemental analyses, single crystal X-ray diffraction, and thermogravimetric analysis (TGA). Structural analyses show that compounds 1 and 2 possess mononuclear structures and exhibit 1D zigzag chain structure. The intermolecular O-H...O and N-H...O interactions extend the compounds into 2D sheet networks. There are H-bonds and pi-pi interactions in the title compounds. Furthermore, the solid-state fluorescence spectrum of compounds 1 and 2 were also investigated. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.11.026