2,5-bis(N-salicylidene-3-aminophenyl)-1,3,4-oxadiazole | 16451-11-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2,5-bis(N-salicylidene-3-aminophenyl)-1,3,4-oxadiazole
• CAS: 16451-11-9
• 化学式: C₂₈H₂₀N₄O₃
• 分子量: 460.492
• InChiKey: HBTOICIOUDCIOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.32
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  104.1
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  氯仿 、 zinc(II) acetate dihydrate 、 2,5-bis(N-salicylidene-3-aminophenyl)-1,3,4-oxadiazole 以 甲醇 、 氯仿 为溶剂， 以28%的产率得到[Zn2(2,5-bis(N-salicylidene-3-aminophenyl)-1,3,4-oxadiazole)2(1-)]*0.5CHCl3
  参考文献：
  名称：

  Self-assembly of novel discrete binuclear molecular box structure from a novel bis-N,O-bidentate Schiff-base ligand and ZnII, CoII salts

  摘要：

  In our efforts to design discrete polynuclear metal complexes with tailored structures, a novel bis-N,O-bidentate Schiff-base ligand, 2,5-bis(N-salicylidene-3-aminophenyl)-1,3,4-oxadiazole (L), have been synthesized. The reaction of L with Zn(OAc)(2) . 2H(2)O or Co(OAc)(2) . 4H(2)O in a CH3OH/CHCl3 medium yielded two new complexes, [Zn2L2](CHCl3)(1/2) (1) and [CO2L2](CHCl3)(1/2) (2), which exhibit novel discrete dinuclear structure in which the metal centers take pseudo-tetrahedral coordination mode. In each of the two complexes, the L ligands adopt two different conformations (Cisoid-I (close) and Cisoid-II (open)), respectively, to incorporate with the metal centers into box structure. pi-pi stacking interactions were found to play important roles in the self-assembly processes. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2004.12.005