[Cu(phenylsuccinate)(4,4'-bipyridine)]*H2O | 953785-45-0

• 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: [Cu(phenylsuccinate)(4,4'-bipyridine)]*H2O
• 英文别名: [Cu(psa)(4bpy)]*H2O
• CAS: 953785-45-0
• 化学式: C₁₀H₈N₂*C₁₀H₈O₄*Cu*H₂O
• 分子量: 429.919
• InChiKey: MMVBSBJWYUZVJN-PAOXCXRUSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.02
• 重原子数：
  28.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  137.54
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶 、 苯基丁二酸 、 copper(II) acetate monohydrate 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 以69.9%的产率得到[Cu(phenylsuccinate)(4,4'-bipyridine)]*H2O
  参考文献：
  名称：

  Solvothermal syntheses and crystal structures of new Cu(II) complexes with phenylsuccinic acid

  摘要：

  Five new Cu(II) complexes [Cu(psa)(phen)] center dot 3H(2)O (1), [Cu(psa)(2bpy)] center dot 0.5H(2)O (2), [Cu(psa)(2bpy)(H2O)] center dot 3H(2)O (3), [Cu(psa)(4bpy)] center dot H2O (4), and [Cu(psa)(0.5)(N-3)(2bpy)] (5) (H(2)psa = phenylsuccinic acid, phen = 1,10-phenanthroline, 2bpy = 2,2 '-bipyridine, and 4bpy = 4,4 '-bipyridine) were obtained under solvothermal conditions and characterized by single-crystal X-ray diffraction. Complexes 2 and 3 were formed by one-pot reaction. In complex 2, Cu(II) ion is four-coordinated and locates at a slightly distorted square center. In complex 3, the coordinated water molecule occupies the axial site of Cu(II) ion forming a tetragonal pyramid geometry. Complexes I and 3 are of ID chain structures, and extended into 2D supramolecular network by hydrogen bonds. Complex 2 is of zipper structure, and further assembled into 2D supramolecular network by hydrogen bonds and pi-pi stacking interactions. Complex 4 is a 3D CdSO4-like structure with twofold interpenetration, while complex 5 is a dinuclear compound. The different structures of complexes 1-5 can be attributed to using the auxiliary ligands, indicating an important role of the auxiliary ligands in assembly and structure of the title complexes. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.016