[Cu2(μ-orotic acid(-2H))2(1,3-propanediamine)2] | 1253590-92-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Cu2(μ-orotic acid(-2H))2(1,3-propanediamine)2]
• CAS: 1253590-92-9
• 化学式: C₁₆H₂₄Cu₂N₈O₈
• 分子量: 583.507
• InChiKey: UXYOFWVGJLMPTR-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  [Cu2(μ-orotic acid(-2H))2(1,3-propanediamine)2] 在 air 作用下， 以 neat (no solvent, solid phase) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  Hydrogen bonded networks and a self-assembled 1D water cluster in nickel(II) and copper(II)-orotate complexes

  摘要：

  Three Ni(II) and Cu(II)-orotate complexes with 1,3-propanediamine (pen) and N-methylethylenediamine (nmen), [Ni(HOr)(H2O)(2)(pen)] (1), [Cu-2(mu-HOr)(2)(pen)(2)] (2) and {[Cu(mu-HOr)(nmen)]center dot 3H(2)O}(n) (3) (H(3)Or = orotic acid) have been synthesized and characterized by thermal analysis, IR spectroscopy and single crystal X-ray diffraction techniques. In complex 1, the Ni(II) ion has a distorted octahedral geometry. The hydrogen bonds play an important role in the formation of the 3D polymeric structure of complex 1. The carboxylate groups interact with NH2 groups of pen ligands, and HOr ligands are mutually hydrogen bonded to each other through the pyrimidine N and exocyclic O atoms, giving rise to R-2(2)(12) and R-2(2)(8) ring motives, respectively. Complex 2 consists of dimeric [Cu2(mu-HOr)(2)(Pen)(2)] units in which the Cu(II) ions have square pyramidal coordination geometries with bridging oxygen atoms at the pyramid apex. The HOr ligands, linked by N-H center dot center dot center dot O hydrogen bonds, constitute centrosymmetric R-2(2)(8) rings through the plane (1 0 1). The hydrogen bonds between pen and HOr ligands result in R-2(2)(8) rings centered at (n + 1, 0, 1/2) (n = zero or integer). Complex 3 is a 1D coordination polymer, in which the orotate moiety acts as a bridging ligand in the structure. The [Cu(HOr)(nmen)] units are linked by carboxylate oxygen atoms of HOr, which result in a zigzag chain structure along the a axis. Two adjacent 1D coordination polymers are connected through pi center dot center dot center dot pi interactions. The lattice water molecules, forming a ID water cluster, function as a glue to form a 3D supramolecular network through extended hydrogen bonding. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.06.011
• 作为产物：
  描述：

  copper(II) acetate monohydrate 、 1,3-丙二胺 、 乳清酸 以 水 为溶剂， 生成 [Cu2(μ-orotic acid(-2H))2(1,3-propanediamine)2]
  参考文献：
  名称：

  Hydrogen bonded networks and a self-assembled 1D water cluster in nickel(II) and copper(II)-orotate complexes

  摘要：

  Three Ni(II) and Cu(II)-orotate complexes with 1,3-propanediamine (pen) and N-methylethylenediamine (nmen), [Ni(HOr)(H2O)(2)(pen)] (1), [Cu-2(mu-HOr)(2)(pen)(2)] (2) and {[Cu(mu-HOr)(nmen)]center dot 3H(2)O}(n) (3) (H(3)Or = orotic acid) have been synthesized and characterized by thermal analysis, IR spectroscopy and single crystal X-ray diffraction techniques. In complex 1, the Ni(II) ion has a distorted octahedral geometry. The hydrogen bonds play an important role in the formation of the 3D polymeric structure of complex 1. The carboxylate groups interact with NH2 groups of pen ligands, and HOr ligands are mutually hydrogen bonded to each other through the pyrimidine N and exocyclic O atoms, giving rise to R-2(2)(12) and R-2(2)(8) ring motives, respectively. Complex 2 consists of dimeric [Cu2(mu-HOr)(2)(Pen)(2)] units in which the Cu(II) ions have square pyramidal coordination geometries with bridging oxygen atoms at the pyramid apex. The HOr ligands, linked by N-H center dot center dot center dot O hydrogen bonds, constitute centrosymmetric R-2(2)(8) rings through the plane (1 0 1). The hydrogen bonds between pen and HOr ligands result in R-2(2)(8) rings centered at (n + 1, 0, 1/2) (n = zero or integer). Complex 3 is a 1D coordination polymer, in which the orotate moiety acts as a bridging ligand in the structure. The [Cu(HOr)(nmen)] units are linked by carboxylate oxygen atoms of HOr, which result in a zigzag chain structure along the a axis. Two adjacent 1D coordination polymers are connected through pi center dot center dot center dot pi interactions. The lattice water molecules, forming a ID water cluster, function as a glue to form a 3D supramolecular network through extended hydrogen bonding. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.06.011