bis(nitrato-κO)tetrakis(1-propyl-1H-1,2,4-triazole-κN4)copper(II) | 853396-09-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: bis(nitrato-κO)tetrakis(1-propyl-1H-1,2,4-triazole-κN4)copper(II)
• CAS: 853396-09-5
• 化学式: C₂₀H₃₆CuN₁₄O₆
• 分子量: 632.142
• InChiKey: MHOGYITVUZEQCV-UHFFFAOYSA-N

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) nitrate 、 1-丙基-1,2,4-三唑 在 ethyl orthoformate 作用下， 以 乙醇 为溶剂， 生成 bis(nitrato-κO)tetrakis(1-propyl-1H-1,2,4-triazole-κN4)copper(II)
  参考文献：
  名称：

  Tetrakis(1-ethyl-1H-1,2,4-triazole-κN⁴)bis(nitrato-κO)copper(II) and bis(nitrato-κO)tetrakis(1-propyl-1H-1,2,4-triazole-κN⁴)copper(II)

  摘要：

  The copper(II) environments for tetrakis(1-ethyl-1,2,4-triazole)dinitratocopper(II), [Cu(NO3)(2)(C4H7N3)(4)], and tetrakis(1-propyl-1,2,4-triazole)dinitratocopper(II), [Cu(NO3)(2)(C5H9N3)(4)], are distorted square bipyramidal. Both structures are centrosymmetric, with the copper(II) ions located at inversion centers coordinated by four N atoms of four triazole molecules and by two O atoms of two nitrate ions in an elongated octahedral geometry. This elongation is a result of the Jahn-Teller effect. The largest distortion is that of the N-Cu-O angles, which differ from 90degrees by 5.68 (10)degrees in the ethyl and 5.59 (8)degrees in the propyl derivative.

  DOI：

  10.1107/s0108270105003446