[Cu(2-[(2-aminoethylimino)methyl]-4-nitrophenolate)(dicyanamide)]_n | 1455010-34-0

• 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: [Cu(2-[(2-aminoethylimino)methyl]-4-nitrophenolate)(dicyanamide)]_n
• 英文别名: [Cu(2-[(2-aminoethylimino)methyl]-4-nitrophenolate)(dca)]_n；Copper, [2-[[[2-(amino-I masculineN)ethyl]imino-I masculineN]methyl]-4-nitrophenolato-I masculineO](N-cyanocyanamidato-I masculineNa(2))-；copper;2-(2-aminoethyliminomethyl)-4-nitrophenolate;cyanoiminomethylideneazanide
• CAS: 1455010-34-0
• 化学式: C₂N₃*C₉H₁₀N₃O₃*Cu
• 分子量: 337.785
• InChiKey: QFDRGWNHQJVVDL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.37
• 重原子数：
  21.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  166.26
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  copper(II) acetate monohydrate 、 sodium dicyanamide 、 5-硝基水杨醛 、 乙二胺 以 甲醇 为溶剂， 反应 3.0h， 以77%的产率得到[Cu(2-[(2-aminoethylimino)methyl]-4-nitrophenolate)(dicyanamide)]_n
  参考文献：
  名称：

  Synthesis and characterization of four dicyanamide bridged copper(II) complexes with N2O donor tridentate Schiff bases as blocking ligands

  摘要：

  Four copper(II) complexes [Cu(L-1)(dca)](n) (1), [Cu(L-2)(dca)(H2O)](2) (2), [Cu(L-3)(dca)](n) (3) and [Cu(L-4)(dca)](n) (4), where HL1 = 2-[(2-aminoethylimino)methyl]-4-nitrophenol, HL2 = 2-[(2-(methylamino)ethylimino)methyl]-4-nitrophenol, HL3 = 2-[(2-(dimethylamino)ethylimino)methyl]-4-nitrophenol and HL4 = 2[(2-(diethylamino)ethylimino)methyl]-4-nitrophenol are tridentate Schiff base ligands, were synthesized and characterized by elemental analysis, IR and UV-Vis spectroscopy and single-crystal X-ray diffraction studies. Complex 1 and 4 are 1D helical, complex 2 is dimeric and complex 3 is 1D linear chain. X-ray single crystal structure analyses reveal that in complexes 1, 2 and 4, dicyanamide (dca) anions act as a purely mu-1,5-bridging ligand whereas in case of complex 3, two consecutive dca units serve as 1,3-bridging ligand while the third one exhibits end-to-end 1,5-bridging mode. Copper(II) centers in case of two complexes (1 and 3) exhibit square pyramidal geometry as depicted by Addison parameter (tau) values whereas metal centers of complexes 2 and 4 depict distorted octahedral and square pyramidal geometry respectively. The role of weak forces like lone pair ... pi/pi...pi interactions in influencing the self-assembly process appears to be of importance. Such types of interactions leading to supramolecular network in the four complexes are described here. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.06.025