iron(3+);2-[(5-methylimidazol-3-id-4-yl)methylideneamino]-N,N-bis[2-[(5-methylimidazol-3-id-4-yl)methylideneamino]ethyl]ethanamine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: iron(3+);2-[(5-methylimidazol-3-id-4-yl)methylideneamino]-N,N-bis[2-[(5-methylimidazol-3-id-4-yl)methylideneamino]ethyl]ethanamine
• 化学式: C₂₁H₂₇N₁₀*Fe
• 分子量: 475.359
• InChiKey: PRWADYYKXOWOAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.63
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  、 iron(3+);2-[(5-methylimidazol-3-id-4-yl)methylideneamino]-N,N-bis[2-[(5-methylimidazol-3-id-4-yl)methylideneamino]ethyl]ethanamine 、 水 以 甲醇 为溶剂， 以38%的产率得到
  参考文献：
  名称：

  Synthesis, structure and supramolecular features of heteronuclear iron(III)–copper(II) complexes of a tripodal imidazole containing ligand

  摘要：

  Reaction of [CuH3L1]X-2 (X = ClO4 or BF4) (H3L1 is the tripodal ligand derived from the condensation of tris (2-aminoethyl)amine (tren) with three equivalents of 4-methyl-5-imidazolecarboxaldehyde) with FeL1 in methanol results in isolation of heteronuclear hemideprotonated complexes formulated as {[CuH3L1] [FeL1](OH)X}center dot H2O (X = ClO4 or BF4). The complexes are characterized by EA, IR, MS single crystal structure determination and Mossbauer spectroscopy. The room temperature Mossbauer spectra of the complexes consists of a dominant signal attributable to the T-2 (low spin) FeL1. The observed topology is a 2D hexameric ring containing alternating three metal complexes and three water/hydroxide sites. Although the overall compound is achiral individual layers of the complex are homochiral. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.10.002