| 1537183-05-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• CAS: 1537183-05-3
• 化学式: Ag*CHCl₃*CH₄O*C₂₄H₁₅N₃O₆*F₆P*H₂O
• 分子量: 863.667
• InChiKey: YDANJOVEBHLXKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.68
• 重原子数：
  48.0
• 可旋转键数：
  6.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  169.3
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为产物：
  描述：

  甲醇 、 六氟磷酸银 、 氯仿 、 1,3,5-三(异烟酸)苯 生成
  参考文献：
  名称：

  Topological Equivalences between Coordination Polymer and Co-crystal: A Tecton Approach in Crystal Engineering

  摘要：

  The ligand benzene-1,3,5-triyltriisonicotinate (1) was shown to form topological equivalent organic and metal organic networks upon treatment with trimesic acid (H(3)TMA) and Ag(I) salt, respectively. Both exhibit interpenetrated (10,3)-b networks, signifying the tecton equivalency between Ag(I) and H(3)TMA. The metal organic network is doubly interpenetrated, while the organic network is 8-fold interpenetrated which highlights the size differences between Ag(I) and H(3)TMA. Despite interpenetration, both the networks were found to incorporate solvents MeOH and CHCl3 in their channels. Further, the repeat of reaction of Ag(I) with 1 in the presence of a pyrene guest was found to produce crystals of open honeycomb (6,3) network with inclusion of pyrene molecules in the channels.

  DOI：

  10.1021/cg401858s