4-[(2-phenylimidazol-1-yl)methyl]benzamide | 1148041-16-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[(2-phenylimidazol-1-yl)methyl]benzamide
• CAS: 1148041-16-0
• 化学式: C₁₇H₁₅N₃O
• 分子量: 277.326
• InChiKey: ZGYOOSHXHCISAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  60.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-[(2-phenylimidazol-1-yl)methyl]benzamide 、 copper(II) 2-fluorobenzoate 、 乙腈 以 乙腈 为溶剂， 生成 tetrakis(μ-2-fluorobenzoato-O,O')-bis(4-(2-phenylimidazol-1-yl)methylbenzamide)-dicopper(II)*5(acetonitrile)
  参考文献：
  名称：

  Establishing Amide···Amide Reliability and Synthon Transferability in the Supramolecular Assembly of Metal-Containing One-Dimensional Architectures

  摘要：

  On the basis of a combination of new structural data (eleven single-crystal structure determinations are presented) and information from the Cambridge Structural Database, it has been shown that self-complementary hydrogen-bond based amide center dot center dot center dot amide dimers can be relied upon as effective supramolecular synthons for the assembly and organization of acac- and paddle-wheel complexes of a variety of metal(II) ions. The targeted molecular recognition event and intended extended one-dimensional motif appear with a supramolecular yield of 78% (a total of 28 structures were examined). Despite the fact that the hydrogen bonds that give rise to the R-2(2)(8) motif can be disrupted by both carboxylate- and acac-ligands, as well as by solvent molecules, they remain remarkably resilient and therefore represent useful synthetic tools in inorganic crystal engineering.

  DOI：

  10.1021/ic801992t