poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ4-dihydrogen benzene-1,2,4,5-tetracarboxylato] | 710292-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ4-dihydrogen benzene-1,2,4,5-tetracarboxylato]
• CAS: 710292-76-5
• 化学式: C₁₀H₄O₈*C₁₂H₈N₂*Co*H₂O
• 分子量: 509.354
• InChiKey: IKSZBISHXZEGAB-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.23
• 重原子数：
  34.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  212.14
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  水 、 均苯四甲酸 、 1,10-菲罗啉 、 硫酸钴水合物 在 2-aminopyrimidine 作用下， 以 水 为溶剂， 生成 poly[[aqua(1,10-phenanthroline)cobalt(II)]-μ4-dihydrogen benzene-1,2,4,5-tetracarboxylato]
  参考文献：
  名称：

  Polymeric aqua(μ₄-dihydrogen benzene-1,2,4,5-tetracarboxylato)(1,10-phenanthroline)cobalt(II)

  摘要：

  In the title compound, poly[[aqua(1,10-phenanthroline)-cobalt(II)]-mu(4)-dihydrogen benzene-1,2,4,5-tetracarboxylato], [Co(C10H4O8)(C12H8N2)(H2O)](n), each cobalt( II) cation has an octahedral geometry completed by one aqua O atom, three carboxy O atoms belonging to three H2TCB2-. anions (H2TCB2- is dihydrogen benzene-1,2,4,5-tetracarboxylate) and two N atoms from a 1,10-phenanthroline molecule. In the asymmetric unit, there are two half H2TCB2- anions lying about independent inversion centres. The bridging H2TCB2- anions have two coordination modes, viz. mu(2)-H2TCB2- and mu(4)-H2TCB2-, resulting in a two-dimensional coordination polymer. Furthermore, a three-dimensional network is formed by O-carboxy...O-carboxy hydrogen-bond interactions, with H...A distances in the range 1.69-1.82 Angstrom, and O-carboxy...O-water interactions, with H...A distances in the range 1.91-1.94 Angstrom.

  DOI：

  10.1107/s0108270103029445