[Cu2(2-nitrobenzoato)4(N,N-diethylnicotinamide)](n) | 1023963-26-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu2(2-nitrobenzoato)4(N,N-diethylnicotinamide)](n)
• 英文别名: [Cu2(2-NO2Bz)4(denia)](n)
• CAS: 1023963-26-9
• 化学式: C₃₈H₃₀Cu₂N₆O₁₇
• 分子量: 969.778
• InChiKey: VVPANMSMJGPRBC-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  [Cu2(2-nitrobenzoato)4(N,N-diethylnicotinamide)](n) 、 N,N-二甲基甲酰胺 以 N,N-二甲基甲酰胺 为溶剂， 生成 [Cu2(2-nitrobenzoato)4(N,N-dimethylformamide)2]
  参考文献：
  名称：

  Synthesis, spectral and magnetic properties of two different 2-nitrobenzoatocopper(II) complexes containing N,N-diethylnicotinamide

  摘要：

  Two structurally different complexes, [Cu-2(2-NO(2)Bz)(4)(denia)(1)](n) (1) and [Cu(2-NO(2)BZ)(2)(denia)(2)(H2O)(2)] (2), were prepared from the same reaction (where 2-NO(2)Bz = 2-nitrobenzoate, denia = NN-diethyinicotinamide) and they are reported together with (Cu-2(2NO(2)BZ)(4)(DMF)(2)] (3) (DMF = NN-dimethylformamide). The compounds under study were characterized by elemental analysis, electronic, IR and EPR spectra, magnetic measurements over the temperature range of 1.8-300 K and X-ray analysis. The molecular structure of (1) is polymeric, (2) is monomeric and (3) is dimeric. In the polymeric chain of (1), the denia molecules serve as bridges between dimeric Cu-2(2-NO(2)bz)(4) units. Each Cu(II) atom has a square-pyramidal arrangement with different chromophores, (CuO4O)-O-1' and (CuO4N)-O-2. The Cu-Cu distances are 2.699(1) angstrom in the dimeric unit and 7.980(3) angstrom between the dimeric units. In (2) the Cu(II) atom has a tetragonal-bipyramidal environment CuO2N2O'(2). In (3) two Cu(II) atoms are bridged by four carboxylate groups of four 2-NO(2)bz anions in a syn-syn arrangement which create a square base about each Cu(II) atom and an apical position is occupied by the O atom of a DMF molecule (CuO4O'). The Cu-Cu distance of 2.633(1) angstrom is somewhat shorter than in (1). Spectral and magnetic data of the complexes are discussed with their structures. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.12.030
• 作为产物：
  描述：

  邻硝基苯甲酸 、 copper diacetate 、 尼可刹米 以 乙醇 为溶剂， 生成 [Cu(2-nitrobenzoato)2(N,N-diethylnicotinamide)2(H2O)2] 、 [Cu2(2-nitrobenzoato)4(N,N-diethylnicotinamide)](n)
  参考文献：
  名称：

  Synthesis, spectral and magnetic properties of two different 2-nitrobenzoatocopper(II) complexes containing N,N-diethylnicotinamide

  摘要：

  Two structurally different complexes, [Cu-2(2-NO(2)Bz)(4)(denia)(1)](n) (1) and [Cu(2-NO(2)BZ)(2)(denia)(2)(H2O)(2)] (2), were prepared from the same reaction (where 2-NO(2)Bz = 2-nitrobenzoate, denia = NN-diethyinicotinamide) and they are reported together with (Cu-2(2NO(2)BZ)(4)(DMF)(2)] (3) (DMF = NN-dimethylformamide). The compounds under study were characterized by elemental analysis, electronic, IR and EPR spectra, magnetic measurements over the temperature range of 1.8-300 K and X-ray analysis. The molecular structure of (1) is polymeric, (2) is monomeric and (3) is dimeric. In the polymeric chain of (1), the denia molecules serve as bridges between dimeric Cu-2(2-NO(2)bz)(4) units. Each Cu(II) atom has a square-pyramidal arrangement with different chromophores, (CuO4O)-O-1' and (CuO4N)-O-2. The Cu-Cu distances are 2.699(1) angstrom in the dimeric unit and 7.980(3) angstrom between the dimeric units. In (2) the Cu(II) atom has a tetragonal-bipyramidal environment CuO2N2O'(2). In (3) two Cu(II) atoms are bridged by four carboxylate groups of four 2-NO(2)bz anions in a syn-syn arrangement which create a square base about each Cu(II) atom and an apical position is occupied by the O atom of a DMF molecule (CuO4O'). The Cu-Cu distance of 2.633(1) angstrom is somewhat shorter than in (1). Spectral and magnetic data of the complexes are discussed with their structures. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.12.030