[Cu(3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole)2(ClO4)2]*H2O | 758695-42-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [Cu(3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole)2(ClO4)2]*H2O
• CAS: 758695-42-0
• 化学式: C₃₆H₂₆Cl₂CuN₁₀O₈*H₂O
• 分子量: 879.132
• InChiKey: NLHYMKSFEDPQGF-UHFFFAOYSA-L

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：

  copper(II) perchlorate hexahydrate 、 3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole 以 乙醇 为溶剂， 以96%的产率得到[Cu(3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole)2(ClO4)2]*H2O
  参考文献：
  名称：

  Two forms of a copper(II) complex of 3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole: a six-coordinate monomer versus a five-coordinate polymer

  摘要：

  The reaction of the new bidirectional ligand 3-phenyl-5-(2-pyridyl)-4-(4-pyridyl)-4H-1,2,4-triazole (pyppt) with Cu(ClO4)(2) (.) 6H(2)O in a 2:1 molar ratio in EtOH affords the complex [Cu-II(pyppt)(2)(ClO4)(2)] (.) H2O (1) as a microcrystalline turquoise solid. Recrystallisation of complex 1 from MeCN by vapour diffusion of Et2O gives blue crystals of the monomeric octahedral complex [Cu-II(pyppt)(2)(ClO4)(2)] (.) MeCN (2). In contrast, addition of EtOH to a solution of complex 1 in MeCN followed by slow evaporation yields blue crystals of the five-coordinate polymeric complex {[Cu-II(pyppt)(2)](ClO4)(2) (.) EtOH}(infinity) (3). The structures of both complexes have been determined by single crystal X-ray diffraction. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.03.044