diaquabis(4,4'-bipyridine-N)bis(dihydrogenphosphato-O)copper(II) | 956270-90-9

• 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: diaquabis(4,4'-bipyridine-N)bis(dihydrogenphosphato-O)copper(II)
• 英文别名: Diaquabis(4,4'-bipyridine)bis(dihydrogenphosphato)copper(II)；copper;dihydrogen phosphate;4-pyridin-4-ylpyridine;dihydrate
• CAS: 956270-90-9
• 化学式: C₂₀H₂₄CuN₄O₁₀P₂
• 分子量: 605.925
• InChiKey: PDHPXYQREHBGDY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.49
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  215
• 氢给体数：
  6
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  4,4'-联吡啶 、 copper(II) nitrate trihydrate 、 磷酸 在 tetra-n-butylammonium hydroxide 作用下， 以 水 为溶剂， 以46%的产率得到diaquabis(4,4'-bipyridine-N)bis(dihydrogenphosphato-O)copper(II)
  参考文献：
  名称：

  Diaquabis(4,4′-bipyridine-N)bis(dihydrogenphosphato-O)copper(II): blocking of extended metal–ligand coordination by hydrogen bonding

  摘要：

  The title compound, [Cu(H2PO4)(2)(C10H8N2)(2) (H2O)(2)], is a mononuclear complex in which the Cu atom is square-planar coordinated by two dihydrogenphosphate anions and two monodentate 4,4'-bipyridine (4,4'-bipy) groups, and by two more distant aqua ligands to complete a distorted octahedral coordination. Metal-etal bridging by 4,4'-bipy is blocked by intermolecular hydrogen bonding from the dihydrogenphosphate to the second N atom of 4,4'-bipy. The crystal packing is controlled both by additional hydrogen bonding between the aqua and phosphate ligands and by pi -stacking. These hydrogen-bonding interactions create two-dimensional networks which are connected by the bipyridine ligands.

  DOI：

  10.1107/s0108270101012914