H2(salnptn(3-OMe)2) | 100930-87-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: H2(salnptn(3-OMe)2)
• 英文别名: 2-[5-[(2-Hydroxy-3-methoxyphenyl)methylideneamino]pentyliminomethyl]-6-methoxyphenol
• CAS: 100930-87-8
• 化学式: C₂₁H₂₆N₂O₄
• 分子量: 370.448
• InChiKey: KSXPGVQTNXEPFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  bis(acetylacetonato)titanium(IV) diisopropoxide 、 H2(salnptn(3-OMe)2) 以 甲醇 为溶剂， 以18%的产率得到[TiO(salnptn(3-OMe)2)]
  参考文献：
  名称：

  Oxotitanium(IV) and dichlorotitanium(IV) complexes with tetradentate Schiff bases

  摘要：

  Attempts to prepare [TiO(salen)] (H(2)salen = 1,2-HOC6H4CH=NCH2CH2N=CHC6H4OH-1,2) and its homologues, analogues of the well known complexes related to [VO(salen)] were only partially successful, in that all the products appear to be polymeric rather than mononuclear, and no crystalline materials were obtained. Homologues of [TiCl2(salen)] were similarly difficult to obtain pure, though we determined a crystal structure for [TiCl2(1,2-OC6H4CMe=NCH2CH2N=CMeC6H4O-1,2)]. This has the expected octahedral coordination, though in common with many such materials, there are molecules of solvent, thf and toluene, within the crystal. This complicates characterisation on the basis of microanalysis. (C) 2000 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(00)00142-0

文献信息

• Supramolecular networks of Mn(III)–Schiff base complexes assembled by nitrate counterions: X-ray crystal structures of 1D chains and 2D networks
  作者：M. Ángeles Vázquez-Fernández、M. Isabel Fernández-García、Ana M. González-Noya、Marcelino Maneiro、Manuel R. Bermejo、M. Jesús Rodríguez-Doutón

  DOI：10.1016/j.poly.2011.09.031

  日期：2012.1

  dimeric and polymeric structures. Nitrate anions are accommodated in the cavities of the framework and form hydrogen bonds with the aqua ligands and the methanol or crystal water, leading to infinite supramolecular aggregates of the complexes. Comparison of chloride, perchlorate and nitrate complexes indicate that the nature of the anions is the key factor directing the structural topologies.

  摘要从3-甲氧基-2-羟基苯甲醛与不同的二胺缩合得到的双阴离子六齿席夫碱合成了一系列硝酸锰（III）配合物。通过元素分析，ESI质谱，IR和1H NMR光谱对复合物进行了表征。还进行了磁研究和摩尔电导率测量。配合物[MnL1（H2O）2] 2·2NO3·2CH3OH（1），[MnL2（ ）2] 2·2NO3·2CH3OH（2）和[MnL5（ ）2] 2·2NO3·6 （5）结晶表征。X射线结构显示出金属周围的八面体几何形状，赤道面上的席夫碱作为四齿，轴向上的水或甲醇分子起作用。八面体实体通过相邻轴向水分子之间的a-aquo桥成对连接，也通过π-π堆积相互作用成对连接，建立二聚体和聚合物结构。硝酸根阴离子被容纳在骨架的空腔中，并与水配体和甲醇或结晶水形成氢键，导致络合物的无限超分子聚集。氯离子，高氯酸根和硝酸根络合物的比较表明，阴离子的性质是指导结构拓扑的关键因素。