poly[(μ4-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)] | 1312291-65-8

• 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: poly[(μ4-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]
• CAS: 1312291-65-8
• 化学式: C₁₀H₈O₆*Zn
• 分子量: 289.56
• InChiKey: VTDIWRXRGUHRLJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.57
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  98.72
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  2,5-二甲氧基对苯二甲酸 、 zinc(II) nitrate hexahydrate 以 N,N-二甲基甲酰胺 为溶剂， 以79%的产率得到poly[(μ4-2,5-dimethoxybenzene-1,4-dicarboxylato)zinc(II)]
  参考文献：
  名称：

  Poly[(μ₄-2,5-dimethoxybenzene-1,4-dicarboxylato)manganese(II)] and its zinc(II) analogue: three-dimensional coordination polymers containing unusually coordinated metal centres

  摘要：

  The title compounds, [Mn(C10H8O6)] (n) and [Zn(C10H8O6)] (n) , are isomorphous coordination polymers prepared from 2,5-dimethoxyterephthalic acid (H(2)dmt) and the respective metal(II) salts. Both complexes form three-dimensional metal-organic frameworks with each M II centre bridged by four 2,5-dimethoxyterephthalate (dmt2-) anions, resulting in the same type of network topology. The asymmetric unit consists of one M II cation on a twofold axis and one half of a dmt2- anion (located on a centre of inversion). In the crystal structure, the M II centres are coordinated in a rather unusual way, as there is a distorted tetrahedral inner coordination sphere formed by four carboxylate O atoms of four different dmt2- anions, and an additional outer coordination sphere formed by two methoxy and two carboxylate O atoms, with each of the O atoms belonging to one of the four different dmt2- anions forming the inner coordination sphere. Consideration of both coordination spheres results in a super-dodecahedral coordination geometry for the M II centres. Besides the numerous M II...O interactions, both structures are further stabilized by weak C-H...O contacts.

  DOI：

  10.1107/s0108270110046950