(dichloro(4-amino-5-thioxo-Δ2-1,2,4-triazolin-3-yl)-methylammonium-N,S)copper(II) chloride | 836599-65-6

• 英文名称: (dichloro(4-amino-5-thioxo-Δ2-1,2,4-triazolin-3-yl)-methylammonium-N,S)copper(II) chloride
• CAS: 836599-65-6
• 化学式: C₃H₈Cl₂CuN₅S*Cl
• 分子量: 316.101
• InChiKey: AXEFACWJVMMDQA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  copper(II) choride dihydrate 、 (4-amino-5-thioxo-Δ2-1,2,4-triazolin-3-yl)-methylammonium chloride monohydrate 在 HCl 作用下， 以 甲醇 为溶剂， 以71%的产率得到(dichloro(4-amino-5-thioxo-Δ2-1,2,4-triazolin-3-yl)-methylammonium-N,S)copper(II) chloride
  参考文献：
  名称：

  Structure, solution equilibria and magnetic properties of copper(II) complexes with new sulfurated triazoline derivatives of α-amino acids

  摘要：

  Two new sulfurated triazoline ligands have been synthesized by functionalization of glycine and L-alanine (HL1 and HL2 respectively) at the carboxylate site with retention of chirality in the latter case. The ligands and their copper(II) complexes have been characterized by spectroscopic methods and their structures were determined by X-ray diffraction. The compound [CU(H2L2)(2)]-(H5O2)(SO4)(2)(HSO4) presents a very disordered structure with regard to the anionic counterion and a very unusual elongated crystal cell. In all the complexes the ligands are (N,S) coordinated to copper(II), while the amino groups remain protonated and uncoordinated. The ligands have also been studied in solution and their dissociation constants were determined both by potentiometry and H-1 NMR titrations. Potentiometric studies on the complex [Cu(H2L2)(2)](H5O2)(SO4)(2)(HSO4) were performed to determine the dissociation constants of the ligand once coordinated to the metal. The complex [CUCl2(H2L1)]Cl was studied also by magnetic susceptibility measurements, showing an interesting antiferromagnetic behavior at low temperature which has been interpreted on the basis of its crystal packing. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.08.016