{[Co(CH₃O-ip)(1,6-bih)]}_n | 1449520-39-1

• 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: {[Co(CH₃O-ip)(1,6-bih)]}_n
• 英文别名: {[Co(5-methoxyisophthalate)(1,6-bis(imidazol-1-yl)hexane)]}_n
• CAS: 1449520-39-1
• 化学式: C₉H₆O₅*C₁₂H₁₈N₄*Co
• 分子量: 471.439
• InChiKey: MNYSQDPJSFLBNW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.76
• 重原子数：
  31.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  125.13
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  5-甲氧基间苯二甲酸 、 cobalt(II) diacetate tetrahydrate 、 1,1'-(1,6-hexanediyl)bisimidazole 以 水 为溶剂， 反应 72.0h， 以42%的产率得到{[Co(CH₃O-ip)(1,6-bih)]}_n
  参考文献：
  名称：

  Syntheses, Structures, and Properties of Two New Co(II) Coordination Frameworks Based on R-Isophthalate (R = –CH₃ or –OCH₃) and Two Flexible Bis(imidazol) Coligands

  摘要：

  Two new coordination polymers, {[Co(CH3-ip)(1,4-bib)]center dot 2H(2)O} (n) (1) and {[Co(CH3O-ip)(1,6-bih)]} (n) (2) (CH3-H(2)ip = 5-methylisophthalic acid, CH3O-H(2)ip = 5-methoxyisophthalic acid, 1,4-bib = 1, 4-bis(imidazol-1-yl)butane, 1,6-bih = 1,6-bis(imidazol-1-yl)hexane), have been obtained under hydrothermal conditions. Complexes 1 and 2 were determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis and IR spectroscopy. Complex 1 shows a two-dimensional (2D) corrugated layer containing left and right-handed helical chains. Compound 2 exhibits a 2-fold parallel interpenetrated 2D 2D net. Furthermore, thermogravimetric properties of 1 and 2 were also investigated. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2012.751418