2,2'-((pyrimidine-4,6-diylbis(2-methylhydrazin-2-yl-1-ylidene))bis(methaneylylidene))diphenol | 1429327-75-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 2,2'-((pyrimidine-4,6-diylbis(2-methylhydrazin-2-yl-1-ylidene))bis(methaneylylidene))diphenol
• CAS: 1429327-75-2
• 化学式: C₂₀H₂₀N₆O₂
• 分子量: 376.418
• InChiKey: OMFKPUNDTRPQLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.83
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  97.44
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  甲醇 、 iron(III) chloride hexahydrate 、 2,2'-((pyrimidine-4,6-diylbis(2-methylhydrazin-2-yl-1-ylidene))bis(methaneylylidene))diphenol 反应 0.5h， 以50%的产率得到
  参考文献：
  名称：

  High-spin tetranuclear iron(III) grids: Synthesis, crystal structure and magnetic properties

  摘要：

  Three new tetranuclear Fe-III complexs (Fe4L4Cl4)-Cl-1 (1), Fe4L42(ClO4)(4) (2), Fe(4)L(4)(3)Cl(4)5H(2)O (3) and a binuclear complex Fe2L4(MeOH)(2)Cl(4)3MeOH (4) (the bis-Schiff base ligands H2L1-4 were obtained by the condensation of 2,4-dihydrazinopyrimidine and salicylicaldehyde or acetylacetone in a molar ratio of 1:2),have been synthesized and characterized by crystallography, spectroscopy and magnetic measurements. The tetranuclear 2 x 2 grid complex 1 crystallizes in a monoclinic space group C2/c with a = 29.040(3) angstrom, b = 10.9525(11) angstrom, c = 26.881(3) angstrom, beta = 105.172(2)degrees, V = 8251.9(15) angstrom(3). Complex 2 crystallizes in a monoclinic space group P2(1) with a = 12.536(3) angstrom, b = 23.148(5) angstrom, c = 17.506(4) angstrom, beta = 102.96(3)degrees, V = 4950.6(17) angstrom(3), and complex 3 in a triclinic space group P (1) over bar with a = 12.145(2) angstrom, b = 29.094(6) angstrom, c = 29.343(6) angstrom, alpha = 94.12(3)degrees, beta = 93.17(3)degrees, gamma = 97.62(3)degrees, V = 10228(4) angstrom(3). All the Fe-III ions from 1, 2 and 3 are coordinated by an N4O2 sphere with two N atoms from pyrimidine, two N atoms from hydrazine, and two 0 atoms from phenoxo groups. Complex 4 has a binuclear structure crystallized in a triclinic space group P (1) over bar with a = 10.500(2) angstrom, b = 11.053(2) angstrom, c = 15.990(3) angstrom, alpha = 82.20(3)degrees, beta = 89.64(3)degrees, gamma = 70.77(3)degrees, V = 1734.4(6) angstrom(3). Magnetic susceptibility measurements indicate that the Fe(III) ions are all high spin, and adjacent Fe(III) ions are weakly antiferromagnetically coupled via pyrimidine in complexes 1, 2, 3 and 4. Magneto-structural correlation studies show that a longer Fe-N-pym, bond distance corresponds to a weaker antiferromagnetic coupling. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.014