| 1398545-79-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 1398545-79-3
• 化学式: C₁₄H₁₆CuN₆O₄S₂
• 分子量: 459.997
• InChiKey: COPPPLJRKHQVBN-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：

  4-氰基苯磺酰胺 、 氨 、 copper dichloride 以 乙醇 为溶剂， 以80%的产率得到
  参考文献：
  名称：

  Crystal structure, spectroscopy and theoretical studies of p-cyanobenzenosulfonamide and a Cu(II) complex

  摘要：

  The results of the structural and electronic structure of p-cyanobenzenosulfonamide (L), and its copper(II) complex, Cu(L)(2)(NH3)(2) are reported. Both compounds have been prepared and their crystal structures determined. The sulfonamide crystallizes in the orthorhombic system, space group. Pnma and Z=4, whereas the complex crystallizes in the triclinic system, P-1 and Z=2. The coordination geometry of the copper(II) ion in the complex can be described as a distorted square planar with two N-sulfonamide and two NH3 in opposite vertices. The thermal behavior of both, the ligand and the Cu(II) complex, was investigated by thermogravimetric analyses (TG) and differential thermal analysis (DT). The experimental IR, Raman and UV-VIS spectra have been assigned on the basis of OFT calculations. (C) 2012 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2012.05.006