[Co(ptma)(ampy)Cl][ZnCl4] | 648883-95-8

• 英文名称: [Co(ptma)(ampy)Cl][ZnCl4]
• 英文别名: [Co(N-[2-pyridylmethyl]-1,3-diaminopropane)(2-aminoethylpyridine)Cl][ZnCl4]
• CAS: 648883-95-8；426264-28-0
• 化学式: C₁₅H₂₃ClCoN₅*Cl₄Zn
• 分子量: 575.029
• InChiKey: IWQKPALZQBNTJO-UHFFFAOYSA-I

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

• 作为反应物：
  描述：

  盐酸 、 [Co(ptma)(ampy)Cl][ZnCl4] 在 NaOH 作用下， 以 水 为溶剂， 以20%的产率得到[Co(ptma)(ampy)Cl][ZnCl4]*H2O
  参考文献：
  名称：

  C–H⋯π interactions in the [Co(N-(2-pyridylmethyl)-1,3-diaminopropane)(2-aminomethylpyridine)Cl]2+ system: syntheses, 2D NMR spectroscopy, X-ray structures and energy minimisations

  摘要：

  Ten asymmetric isomers exist for [Co(ptma)(ampy)Cl](2+) (ptma = N-(2-pyridylmethyl)-1,3-diaminopropane, ampy = 2-aminomethylpyridine) each involving unsymmetrical triamine and diamine ligands. Two of these, the m3 and m4 forms, have been synthesized, and under a variety of conditions none of the other eight has been observed. As for the related [Co(pema)(ampy)Cl](2+) system, ab initio energy calculations again show that the isomers containing a C-H(...)pi interaction are the more stable forms; the m4 isomer is the most stable. The structures for the two isolated chloro isomers are deduced from the 2D NMR spectra and are confirmed by the X-ray crystal structure determinations. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.09.005
• 作为产物：
  描述：

  2-氨甲基吡啶 、 盐酸 、 cobalt(II) nitrate hexahydrate 、 N-(2-pyridinemethyl)-1,3-diamonopropane hydrochloride 、 zinc(II) chloride 在 NaOH 、 NaCl 作用下， 以 水 为溶剂， 生成 [Co(ptma)(ampy)Cl][ZnCl4] 、 [Co(ptma)(ampy)Cl][ZnCl4]*H2O
  参考文献：
  名称：

  C–H⋯π interactions in the [Co(N-(2-pyridylmethyl)-1,3-diaminopropane)(2-aminomethylpyridine)Cl]2+ system: syntheses, 2D NMR spectroscopy, X-ray structures and energy minimisations

  摘要：

  Ten asymmetric isomers exist for [Co(ptma)(ampy)Cl](2+) (ptma = N-(2-pyridylmethyl)-1,3-diaminopropane, ampy = 2-aminomethylpyridine) each involving unsymmetrical triamine and diamine ligands. Two of these, the m3 and m4 forms, have been synthesized, and under a variety of conditions none of the other eight has been observed. As for the related [Co(pema)(ampy)Cl](2+) system, ab initio energy calculations again show that the isomers containing a C-H(...)pi interaction are the more stable forms; the m4 isomer is the most stable. The structures for the two isolated chloro isomers are deduced from the 2D NMR spectra and are confirmed by the X-ray crystal structure determinations. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2003.09.005