ferrous 2,2'-bipyridine-5,5'-dicarboxylic acid sulfate | 1380239-55-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: ferrous 2,2'-bipyridine-5,5'-dicarboxylic acid sulfate
• 英文别名: Fe(H2bpdc)SO4
• CAS: 1380239-55-3
• 化学式: C₁₂H₈N₂O₄*Fe*O₄S
• 分子量: 396.117
• InChiKey: NJSGGRFNIXDXSG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  180.64
• 氢给体数：
  2.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  ammonium iron(II) sulfate hexahydrate 、 2,2'-联吡啶-5,5'-二羧酸 在 EuCl₃ 、 aminotris(methylenephosphonic acid) 作用下， 以 水 为溶剂， 以35%的产率得到ferrous 2,2'-bipyridine-5,5'-dicarboxylic acid sulfate
  参考文献：
  名称：

  Synthesis, structure and properties of a metal–organic complex built up from ferrous sulfate chains and 2,2'-bipyridyl-5,5'-dicarboxylic acid ligands

  摘要：

  A novel metal-organic complex [Fe(H(2)bpdc)]SO4 (1) has been hydrothermally synthesized (H(2)bpdc=2,2'-bipyridyl-5,5'-dicarboxylic acid) and structurally characterized by elemental analyses. IR spectra, powder X-ray diffraction and single-crystal X-ray diffraction, which displays the first 1-D ferrous sulfate chain functionalized by H(2)bpdc. Interestingly, the 3-D supramolecular structure of 1 can be constructed by means of hydrogen-bonding interactions and Fe center dot center dot center dot O short contacts. Thermogravimetric analysis indicates that 1 shows a good thermal stability and can be thermally stable up to 420 degrees C. Magnetic measurements of 1 exhibit the existence of antiferromagentic interactions within the Fe-11 centers. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2012.03.027