catena-poly-[aqua(di-2-pyridylamine)copper(II)(μ-formato-O,O')nitrate] | 861218-95-3

• 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: catena-poly-[aqua(di-2-pyridylamine)copper(II)(μ-formato-O,O')nitrate]
• 英文别名: [Cu(dpyam)(μ-HCO2)(H2O)(NO3)]
• CAS: 861218-95-3
• 化学式: CHO₂*C₁₀H₉N₃*Cu*H₂O*NO₃
• 分子量: 359.785
• InChiKey: ZMCOTFBSTHBEMA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.48
• 重原子数：
  22.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  175.64
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  水 、 2,2'-二吡啶胺 、 copper(II) nitrate trihydrate 、 sodium formate 以 甲醇 、 水 为溶剂， 以60%的产率得到catena-poly-[aqua(di-2-pyridylamine)copper(II)(μ-formato-O,O')nitrate]
  参考文献：
  名称：

  Synthesis, crystal structure and magnetic properties of a polynuclear Cu(II) complex: catena-poly[aqua(di-2-pyridylamine)copper(II)(μ-formato-O,O′)nitrate]

  摘要：

  The synthesis, X-ray structure, spectroscopic and magnetic properties of a zig-zag formato-bridged chain complex with the formula [Cu(dpyam)(mu-O2CH)(OH2)](n)(NO3)(n) (1) (in which dpyam = di-2-pyridylamine) is described. The geometry of the copper(H) ion is distorted square pyramidal with a basal plane consisting of two nitrogen atoms of the dpyam ligand (Cu-N distances 1.987(3) and 2.010(3) angstrom) and two oxygen atoms of two different formato ligands (Cu-O distances 1.974(2) and 1.975(2) angstrom). A coordinated water molecule occupies the axial position at a distance of 2.222(3) angstrom. The copper atoms are bridged unsymmetrically by a formato anion in a syn-anti arrangement, resulting in a polymeric zig-zag chain structure. The magnetic susceptibility measurements (5-280 K) agree with a very weak ferromagnetic chain interaction between the Cu. centres with a J value of 0.75 cm(-1). (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.12.032