[Cu(CN)(3,3'-[ethane-1,2-diylbis(oxy)]dipropanenitrile)]n | 1363414-38-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Cu(CN)(3,3'-[ethane-1,2-diylbis(oxy)]dipropanenitrile)]n
• CAS: 1363414-38-3
• 化学式: CN*C₈H₁₂N₂O₂*Cu
• 分子量: 257.759
• InChiKey: CXNDEHXRMYPRRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.94
• 重原子数：
  15.0
• 可旋转键数：
  7.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  89.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1,2-二(2-氰乙氧基)乙烷 、 copper(l) cyanide 以 neat (no solvent) 为溶剂， 生成 [Cu(CN)(3,3'-[ethane-1,2-diylbis(oxy)]dipropanenitrile)]n
  参考文献：
  名称：

  Synthesis and crystal structure of the equimolar complex of copper(I) cyanide with 3,3′-[ethane-1,2-diylbis(oxy)]dipropanenitrile

  摘要：

  Complex [Cu(CN)(NC(CH2)(2)O(CH2)(2)O(CH2)(2)CN))] is obtained by the heating of copper(I) cyanide with 3,3'-[ethane-1,2-diylbis(oxy)]dipropanenitrile (DPN) followed by slow cooling. The X-ray diffraction analysis shows that the crystals are monoclinic, space group C2/c, a = 12.183(2), b = 10.667(2), c = 8.4700(13) angstrom, beta = 92.444(10)degrees, V = 1099.7(3) angstrom(3), Z = 4. The structure is built of infinite zigzag fragments [Cu(CN)(DPN)](n). The tetrahedral environment of the copper atom includes two cyano groups of the ligand and two cyano groups of the inorganic fragment.

  DOI：

  10.1134/s1070328412020108