Ni(NCS)2(1-(2-carbamoylethyl)-4-methylimidazole)4*H2O | 440106-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: Ni(NCS)2(1-(2-carbamoylethyl)-4-methylimidazole)4*H2O
• CAS: 440106-55-8
• 化学式: C₃₀H₄₄N₁₄NiO₄S₂*H₂O
• 分子量: 805.608
• InChiKey: MHKYQZUCLQCELP-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：

  1-(2-carbamoylethyl)-4-methylimidazole 、 nickel(II) thiocyanate 以 甲醇 为溶剂， 以87%的产率得到Ni(NCS)2(1-(2-carbamoylethyl)-4-methylimidazole)4*H2O
  参考文献：
  名称：

  NICKEL(II) COMPLEXES OF IMIDAZOLE-DERIVED LIGANDS WITH AN AMIDE GROUP: SOME COMPOUNDS WITH COMPLEX MAGNETIC BEHAVIOUR

  摘要：

  NiL4X2.xH(2)O compounds [L = 1-(2-carbamoylethyl)-4-methylimidazole C4MIm), 1-(2-carbamoylethyl)benzimidazole (CBIm) or 1-(2-carbamoylethyl)-5,6-dimethylbenzimidazole (CMMBIm)] have been prepared and characterised and the effect of different axial ligands, X, on the magnetic properties of the complexes has been examined. Diamagnetic and paramagnetic complexes with CMMBIm have been obtained. With C4MIm and CBIm, only paramagnetic compounds could be isolated. The CBIm ligand afforded complexes with unusual magnetic behaviour: NiCl2(CBIm)(4) is believed to exhibit a spin-singlet ground state with a low-lying spin triplet state and NiBr2(CBIm)(4) shows magnetic properties indicating structural changes over the temperature range studied. Structures of the compounds have been proposed based on spectroscopic and magnetic data and on powder X-ray diffraction patterns.

  DOI：

  10.1081/sim-120003210