[Zn(1,3,5,-tris(1-imidazolyl)benzene)(5-methylisophthalic acid-2H)(H2O)]n | 1431328-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Zn(1,3,5,-tris(1-imidazolyl)benzene)(5-methylisophthalic acid-2H)(H2O)]n
• 英文别名: [Zn(1,3,5,-tris(1-imidazolyl)benzene)(5-methylisophthalic acid-2H)(H₂O)]_n；[Zn(tib)(5-methylisophthalic acid-2H)(H₂O)]_n
• CAS: 1431328-52-7
• 化学式: C₉H₆O₄*C₁₅H₁₂N₆*H₂O*Zn
• 分子量: 537.85
• InChiKey: DITQZHHDYYZZTP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.14
• 重原子数：
  36.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  165.22
• 氢给体数：
  0.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  tib 、 zinc(II) nitrate hexahydrate 、 5-甲基间苯二酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 96.0h， 以55%的产率得到[Zn(1,3,5,-tris(1-imidazolyl)benzene)(5-methylisophthalic acid-2H)(H2O)]n
  参考文献：
  名称：

  Hydrothermal syntheses, crystal structure and luminescent properties of four zinc(II) coordination polymers based on tipodal imidazole

  摘要：

  Four new Zn(II) coordination polymers [Zn(tib)(2)(H2O)(2)(NO3)(2)](n) (1), [Zn(tib)(2)Cl-2](n) (2), [Zn(tib)(L-1)](n) (3) and [Zn(tib) (L-2) (H2O)](n) (4) [tib = 1,3,5,-tris(1-imidazolyl) benzene, H2L1 = 5-hydroxyisophthalic acid and H2L2 = 5-methylisophthalic acid] have been prepared and characterized by elemental, IR, XRPD and X-ray diffraction analyses. The structure determination reveals that complex 1 is a 2D layer network and exhibits a typical (4,4)-topological net, which further assembles into a 3D (3,6)-connected framework with (4(4).6(10).8) topological symbol via hydrogen bonding interactions. Complex 2 shows a 2D (3,6)-connected topological net the Schlafli symbol of (4(3))(2)(4(6).6(6).8(3)). Complex 3 features a (4,4)-topological net and further assembles into a 3D pcu framework by hydrogen bonding interactions. Complex 4 is a 1D ladder-like chains structure. Furthermore, the photoluminescence properties are investigated. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.01.003