[Cu(6-hydroxypicolinic acid)₂(3-picoline)₂] | 1421045-25-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Cu(6-hydroxypicolinic acid)₂(3-picoline)₂]
• 英文别名: [Cu(6-OHpic)₂(3-pic)₂]
• CAS: 1421045-25-1
• 化学式: C₂₄H₂₂CuN₄O₆
• 分子量: 526.008
• InChiKey: GURMQXHSYADEFF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3-甲基吡啶 、 trans-diaquabis(6-hydroxypicolinato-κ2-N,O(2))copper(II) 反应 240.0h， 以48%的产率得到[Cu(6-hydroxypicolinic acid)₂(3-picoline)₂]
  参考文献：
  名称：

  Synthesis and Characterization of a Copper(II) Complex with 6-Hydroxypicolinic Acid and 3-Picoline

  摘要：

  A copper(II) complex with 6-hydroxypicolinic acid (6-OHpicH) and 3-picoline (3-pic), [Cu(6-OHpic)(2)(3-pic)(2)] (1), was prepared by recrystallization of [Cu(6-OHpic)(2)(H2O)(2)] from 3-picoline and characterized by IR spectroscopy and thermal methods (TGA/DTA and DSC). The molecular and crystal structure of 1 was determined by single-crystal X-ray structural analysis. The copper(II) ion in 1 has a tetragonally compressed octahedral coordination environment, achieved by two N,O-bidentate 6-hydroxypicolinate ligands and by two 3-picoline molecules in trans positions. The crystal structure of 1 exhibits one strong intermolecular O-H center dot center dot center dot O hydrogen bond, one weak intermolecular C-H center dot center dot center dot O hydrogen bond and one C-H center dot center dot center dot pi interaction. Molecules of 1 are assembled into a 2D network in the (1 0 -1) plane, giving rise to C-1(1)(8) graph-set motif. These 2D networks are further assembled into 3D architecture only by weak Van der Waals interactions. A thermogravimetric study showed the initial loss of two coordinated 3-picoline molecules in 1, followed by a complete decomposition of the compound. (doi: 10.5562/cca2119)

  DOI：

  10.5562/cca2119