N,N'-diethylethane-1,2-diamine;nickel(2+);diisothiocyanate | 42534-27-0

• 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'-diethylethane-1,2-diamine;nickel(2+);diisothiocyanate
• CAS: 42534-27-0
• 化学式: C₁₄H₃₂N₆NiS₂
• 分子量: 407.27
• InChiKey: PVDSTGZPIXUVTC-UHFFFAOYSA-N

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：

  {Ni(SCN)2(C6H16N2)2}*2H2O 以 neat (no solvent) 为溶剂， 生成 N,N'-diethylethane-1,2-diamine;nickel(2+);diisothiocyanate
  参考文献：
  名称：

  Synthesis, chemical characterization, structural data and solid state behaviour of N, N′-diethyl-1, 2-ethanediamine complexes of nickel(II) thiocyanate

  摘要：

  [NiL(2)(NCS)(2)]. H2O (1) and [NiL(2)(NCS)(2)] (2) (L = N,N'-diethyl-1,2-ethanediamine) have been synthesized from solution. The species 1 on deaquation transforms to [NiL(2)(NCS)(2)] (1a) which subsequently undergoes an irreversible exothermic phase transition (118-142 degrees C; Delta H = -3.8 kJ mol(-1)) accompanied by a pinkish-blue to blue thermochromism producing an isomer [NiL(2)(NCS)(2)] (1b). The pinkish-blue species 2 on heating shows an endotherm (82-120 degrees C; Delta H = 2.0 kJ mol(-1)) followed by an exothermic phase transition (123-152 degrees C; Delta H = -1.9 kJ mol(-1)) yielding the species 1b. Single crystal X-ray structure analyses of 1 and 2 have been carried out. The metal atoms in both the complexes, lying at crystallographic inversion centres, display distorted octahedral geometries with four amine nitrogen atoms defining the equatorial plane and two isothiocyanato groups in trans axial positions.

  DOI：

  10.1016/0277-5387(95)00422-x