N',N'-bis(2-aminoethyl)ethane-1,2-diamine;nickel(2+);dichloride;dihydrate | 115531-30-1

• 分子结构分类: 有机化合物 - 有机盐 - 有机金属盐
• 英文名称: N',N'-bis(2-aminoethyl)ethane-1,2-diamine;nickel(2+);dichloride;dihydrate
• CAS: 115531-30-1
• 化学式: C₆H₂₀ClN₄NiO*Cl*H₂O
• 分子量: 311.862
• InChiKey: KOOILEPYTSGFCC-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -9.48
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  83.3
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  咪唑 、 N',N'-bis(2-aminoethyl)ethane-1,2-diamine;nickel(2+);dichloride;dihydrate 以 乙醇 为溶剂， 生成 {(tris(2-aminoethyl)amine)(imidazole)(monoaqua)nickel(II)} dichloride monohydrate
  参考文献：
  名称：

  New selective nickel(II)-N3 nitrogen bond in adenine: Synthesis and structure of [(tren) (adenine) (monochloro)nickel(II)] chloride and [(tren)(imidazole)(monoaqua)nickel(II)] dichloride

  摘要：

  With the aim to obtain further insight into the nature of the Ni(II)-nitrogen bond in complexes with nucleobases, we have synthesized two novel Ni(II) ternary complexes constituted by Ni(II), tris(2-aminoethyl)amine (tren) and neutral adenine (AdH) or imidazole (ImH). The reaction of NiCl2.6H2O with tren and imidazole yields the ternary [Ni(tren)(ImH)(H2O)]Cl2.H2O complex and the same reaction with adenine instead of imidazole gives the ternary [Ni(tren)(AdH)Cl]Cl complex. The complexes have been studied by spectrophotometric and spectroscopic measurements and by X-ray diffraction. The ternary complex of adenine is monoclinic, space group C2/c, and exhibits a pseudo-octahedral geometry, being Ni(II) coordinated to the four nitrogen atoms of the tetradentate tren ligand, to a Cl- ion and to the pyrimidine N3 site of a neutral adenine. Such an exclusive Ni-N3 bonding [2.081(4)angstrom] is now reported for the first time. The ternary complex of imidazole is monoclinic, space group P2(1)/n. Its pseudo-octahedral geometry is similar to that found in the above adenine complex although a water molecule instead of a Cl-ion is now present in the coordination sphere. In fact, Ni(II) is coordinated to tetradentate tren, to the imidazole N1 nitrogen and to a water molecule. Electronic and H-1 NMR spectra in solution indicate that the octahedral structures found in the solid state are substantially maintained in solution. Furthermore, the present investigation suggests that the adenine Ni-N3 and imidazole Ni-N1 bonds have the same chemical nature, involving mainly sigma- and only partially pi-bonding. The Ni-N3 bonding is discussed in connection with biological implications and possible applications.

  DOI：

  10.1007/bf01195446
• 作为产物：
  描述：

  三(2-氨基乙基)胺 、 nickel(II) chloride hexahydrate 以 乙醇 为溶剂， 生成 N',N'-bis(2-aminoethyl)ethane-1,2-diamine;nickel(2+);dichloride;dihydrate
  参考文献：
  名称：

  New selective nickel(II)-N3 nitrogen bond in adenine: Synthesis and structure of [(tren) (adenine) (monochloro)nickel(II)] chloride and [(tren)(imidazole)(monoaqua)nickel(II)] dichloride

  摘要：

  With the aim to obtain further insight into the nature of the Ni(II)-nitrogen bond in complexes with nucleobases, we have synthesized two novel Ni(II) ternary complexes constituted by Ni(II), tris(2-aminoethyl)amine (tren) and neutral adenine (AdH) or imidazole (ImH). The reaction of NiCl2.6H2O with tren and imidazole yields the ternary [Ni(tren)(ImH)(H2O)]Cl2.H2O complex and the same reaction with adenine instead of imidazole gives the ternary [Ni(tren)(AdH)Cl]Cl complex. The complexes have been studied by spectrophotometric and spectroscopic measurements and by X-ray diffraction. The ternary complex of adenine is monoclinic, space group C2/c, and exhibits a pseudo-octahedral geometry, being Ni(II) coordinated to the four nitrogen atoms of the tetradentate tren ligand, to a Cl- ion and to the pyrimidine N3 site of a neutral adenine. Such an exclusive Ni-N3 bonding [2.081(4)angstrom] is now reported for the first time. The ternary complex of imidazole is monoclinic, space group P2(1)/n. Its pseudo-octahedral geometry is similar to that found in the above adenine complex although a water molecule instead of a Cl-ion is now present in the coordination sphere. In fact, Ni(II) is coordinated to tetradentate tren, to the imidazole N1 nitrogen and to a water molecule. Electronic and H-1 NMR spectra in solution indicate that the octahedral structures found in the solid state are substantially maintained in solution. Furthermore, the present investigation suggests that the adenine Ni-N3 and imidazole Ni-N1 bonds have the same chemical nature, involving mainly sigma- and only partially pi-bonding. The Ni-N3 bonding is discussed in connection with biological implications and possible applications.

  DOI：

  10.1007/bf01195446

文献信息

• Marzotto, Armando; Clemente, Dore Augusto; Valle, Giovanni, Acta Crystallographica, Section C: Crystal Structure Communications, 1993, vol. 49, p. 1252 - 1255
  作者：Marzotto, Armando、Clemente, Dore Augusto、Valle, Giovanni

  DOI：——

  日期：——