| 278606-27-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 278606-27-2
• 化学式: C₂₀H₂₇CuN₁₁O₈S₆
• 分子量: 805.445
• InChiKey: YCFQYSPTFVDBOU-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 trihydrate 、 苯唑拉胺 、 二乙烯三胺 以 乙醇 为溶剂， 以40%的产率得到
  参考文献：
  名称：

  New Cu(II) and Zn(II) complexes of benzolamide with diethylenetriamine: synthesis, spectroscopy and X-ray structures

  摘要：

  New benzolamide (H(2)bz, 5-phenylsulfonamide-1,3,4-thiadiazole-2-sulfonamide) zinc(II) and copper(II) complexes with diethylenetriamine were synthesized and characterized. The crystal structures of the [M(Hbz)(2)(dien)] (M=Cu(IT),Zn(II); dien=diethylenetriamine) complexes were determined. The metal centre adopts a near regular square pyramidal geometry. The benzolamidate anion acts as a monodentate ligand through the thiadiazole N atom contiguous to the deprotonated sulfonamido group. Spectroscopic properties are in good agreement with the crystal structures. The EPR and electronic spectroscopic studies showed that the copper(II) species doped into the zinc(II) complex adopts a near square planar geometry. The energy and composition of the SOMO of [Cu(Hbz)(2)(dien)] and of copper substituted [Zn(Hbz)(2)(dien)] were studied. (C) 2000 Elsevier Science Ltd All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00319-3