| 199852-20-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 199852-20-5
• 化学式: C₂₁H₁₅N₃O₄*Cu
• 分子量: 436.914
• InChiKey: QRSTUGFLUNAANU-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.98
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  113.98
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  copper diacetate 、 N,N'-bis(2-hydroxybenzylidene)(4-nitrophenyl)methane diimine 在 Et₃N 作用下， 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  Metal complexes of quadridentate Schiff bases which can form a four-membered chelate ring

  摘要：

  The metal complexes of deprotonated N,N'-bis(2-hydroxybenzylidene) arylmethanediimines show a strong preference for tetrahedral structures. Oxidation of the Co(II) derivatives gives compounds with S = 1. (C) 1997 Elsevier Science S.A.

  DOI：

  10.1016/s0020-1693(97)05730-7

文献信息

• Novel copper(II) complexes of “short” salen homologues. Structure and magnetic properties of the tetranuclear complex [Cu2(L2)2]2 [H2L2 = phenyl-N,N ′-bis(salicylidene)methanediamine] †
  作者：Alessandro Pasini、Francesco Demartin、Olivo Piovesana、Brunetto Chiari、Antonio Cinti、Ornella Crispu

  DOI：10.1039/b003825n

  日期：——

  Copper(II) complexes of Schiff bases derived from the condensation of two molecules of salicylaldehyde and methanediamine (L1) or some phenyl substituted methanediamines (L2–L5) have been synthesized and characterised. The crystal structure of the phenylmethanediamine (L2) derivative has been determined. The ligand acts as bis-bidentate, bridging two copper atoms which are co-ordinated to two phenolato and two imino groups of two ligands. Two binuclear moieties [Cu2(L2)2] are held together through Cu–O(phenolato) interactions between adjacent units forming a pseudo-linear [Cu2L22]2 cluster. Variable temperature magnetic susceptibility data for this derivative reveal the presence of weak antiferromagnetic interactions (−J ≈ 2–3 cm−1) between nearest neighbour spin centres. The structural factors that may be responsible for the sign and magnitude of the exchange interactions are discussed.

  已经合成了由水杨醛和甲二胺（L1）或某些苯基取代的甲二胺（L2-L5）两个分子缩合而成的席夫碱铜（II）配合物，并对其进行了表征。已经确定了苯基甲二胺（L2）衍生物的晶体结构。配体作为双齿状配体，连接两个铜原子，铜原子与两个配体的两个酚基和两个亚氨基基团配位。两个双核部分[Cu2(L2)2]通过相邻单元之间的Cu-O（酚基）相互作用结合在一起，形成伪线性[Cu2L22]2簇。该衍生物的变温磁化率数据表明，最近的相邻自旋中心之间存在弱反铁磁相互作用（△J≅2-3 cm△1）。讨论了可能影响交换相互作用符号和大小的结构性因素。