[Cu(μ-Cl)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O | 1001847-57-9

• 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: [Cu(μ-Cl)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O
• CAS: 1001847-57-9
• 化学式: C₅H₅NO₄P*Cl*Cu*H₂O
• 分子量: 291.087
• InChiKey: KQGRBSJJFCPKLA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.33
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  118.8
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  [Cu(μ-Cl)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O 、 水 、 氢溴酸 以 水 为溶剂， 以35%的产率得到[Cu(μ-Br)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O
  参考文献：
  名称：

  One-dimensional copper phosphonates containing μ-halide, μ-pyridyl N-oxide and phosphonate bridging ligands

  摘要：

  This paper reports the syntheses and characterization of four copper phosphonates with chain structures based on (2-pyridyl-N-oxide) phosphonate, namely, [Cu2X2(C5H4NOPO3)(2)][Cu(H2O)(6)] center dot 2H(2)O [X = Cl ( 1), Br (2)] and CuX(C5H4NOPO3H) center dot H2O [X= Cl (3), Br (4)]. Compounds 1 and 2 are isostructural and show a chain structure where Cu(1) and Cu(2) are triply bridged by halide, oxygen donor of the pyridyl N-oxide and O-P-O group. The [Cu(H2O)(6)](2+) serves as a charge-balancing cation and locate between the chains together with the water molecules. Compounds 3 and 4 are also isostructural. In these cases, one of the three phosphonate oxygen atoms is protonated, thus leading to a neutral chain structure which is very similar to the anionic chains in compounds 1 and 2. Magnetic studies of compounds 1-4 reveal that antiferromagnetic interactions are mediated between the copper ions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.05.059
• 作为产物：
  描述：

  盐酸 、 (2-吡啶基-N-氧化物)膦酸 、 水 、 copper(II) acetate monohydrate 以 水 为溶剂， 以60%的产率得到[Cu(μ-Cl)(μ-2-pyridyl-N-oxide)phosphonate)]*H2O
  参考文献：
  名称：

  One-dimensional copper phosphonates containing μ-halide, μ-pyridyl N-oxide and phosphonate bridging ligands

  摘要：

  This paper reports the syntheses and characterization of four copper phosphonates with chain structures based on (2-pyridyl-N-oxide) phosphonate, namely, [Cu2X2(C5H4NOPO3)(2)][Cu(H2O)(6)] center dot 2H(2)O [X = Cl ( 1), Br (2)] and CuX(C5H4NOPO3H) center dot H2O [X= Cl (3), Br (4)]. Compounds 1 and 2 are isostructural and show a chain structure where Cu(1) and Cu(2) are triply bridged by halide, oxygen donor of the pyridyl N-oxide and O-P-O group. The [Cu(H2O)(6)](2+) serves as a charge-balancing cation and locate between the chains together with the water molecules. Compounds 3 and 4 are also isostructural. In these cases, one of the three phosphonate oxygen atoms is protonated, thus leading to a neutral chain structure which is very similar to the anionic chains in compounds 1 and 2. Magnetic studies of compounds 1-4 reveal that antiferromagnetic interactions are mediated between the copper ions. (C) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.05.059