aquachloro[7,10,13-trioxa-3,17,23-triazabicyclo[17.3.1]tricosa-1 (23),2,17,19,21-pentaene-N,N',N'']copper(II) hexafluorophosphateacetonitrile solvate | 177481-06-0

• 英文名称: aquachloro[7,10,13-trioxa-3,17,23-triazabicyclo[17.3.1]tricosa-1 (23),2,17,19,21-pentaene-N,N',N'']copper(II) hexafluorophosphateacetonitrile solvate
• CAS: 177481-06-0
• 化学式: C₂H₃N*C₁₇H₂₇ClCuN₃O₄*F₆P
• 分子量: 622.435
• InChiKey: QJMTYLNIJDNYPR-BXQVYAEJSA-M

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

• 作为产物：
  描述：

  吡啶-2,6-二甲醛 、 盐酸 、 ammonium hexafluorophosphate 、 copper(II) choride dihydrate 、 4,7,10-三氧-1,13-十三烷二胺 以 甲醇 为溶剂， 生成 aquachloro[7,10,13-trioxa-3,17,23-triazabicyclo[17.3.1]tricosa-1 (23),2,17,19,21-pentaene-N,N',N'']copper(II) hexafluorophosphateacetonitrile solvate
  参考文献：
  名称：

  A Copper(II) Complex of a Macrocyclic Schiff Base Ligand with a Polyether Bridge

  摘要：

  In the structure of aquachloro[7,10,13-trioxa-3,17,23-triazabicyclo[17.3.1]tricosa-1 (23),2,17,19,21-pentaene-N,N',N '']copper(II) hexafluorophosphate acetonitrile solvate, the Cu-II ion is pentacoordinate with square-pyramidal coordination geometry, with a relatively long axial bond to water [2.244 (5) Angstrom] and with the shortest Cu-N bond being to the pyridine N atom. The water molecule is also hydrogen bonded to two O atoms of the ligand. the complex is folded about the N-Cu-N axis, the polyether chain being nearly planar and making an angle of about 135 degrees with the pyridine ring.

  DOI：

  10.1107/s0108270196001278