| 372186-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 372186-77-1
• 化学式: C₁₄H₂₄CuN₆O₄*O₄S
• 分子量: 499.992
• InChiKey: OXACZDGNXXDGJA-UHFFFAOYSA-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：

  4,4'-联吡啶 、 copper(II) nitrate trihydrate 、 硫酸 、 二乙烯三胺 以 水 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Synthesis and crystal structure of a complex bearing interesting structural motifs: [Cu (C4H7N3) H2O (4,4′-Hbpy)]·SO4·NO3

  摘要：

  A new complex [Cu (C4H7N3) H2O (4,4'-Hbpy)]. SO4. NO3 was synthesized and X-ray characterized. Elemental analysis, Xray diffraction and infrared spectroscopy of the complex were performed. The crystal system is orthorhombic. Crystal data: Fw = 498.98, spacegroup: P212121. Z = 4, a = 14.952(3), b = 20.491(4), c = 6.713 Angstrom. V = 2056.7(9) Angstrom. lambda (Mo-K alpha) = 0.71070 Angstrom. mu = 12.18 cm(-1), D-calc = 1.66 g/cm(3), F-000 = 1032.00, R = 0.062, Rw = 0.087. X-ray analysis illustrated that 4,4'-bpy is mono-protonated and that there are two kinds of anions in one molecule, which give rise to the hydrogen interaction between the molecules in the crystal. Then an extended three-dimensional network is formed along the hydrogen bonds and pi-pi bonds between the pyridine rings. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(00)00916-9