nickel(II) bis(di-iso-butyldithiophosphate)*2pyrazole | 1262153-84-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: nickel(II) bis(di-iso-butyldithiophosphate)*2pyrazole
• 英文别名: Ni[S2P(OBu(i))2(Pz)2]2
• CAS: 1262153-84-3
• 化学式: C₂₂H₄₄N₄NiO₄P₂S₄
• 分子量: 677.517
• InChiKey: SQSGALBQHPHYQX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  吡唑 、 (O,O'-diisobutyl)dithiophosphato potassium 、 nickel(II) nitrate 以 甲醇 为溶剂， 以45%的产率得到nickel(II) bis(di-iso-butyldithiophosphate)*2pyrazole
  参考文献：
  名称：

  Hydrogen bond supramolecular self-assembly in nickel(II) dithiophosphates, Ni[S2P(OR)2]2, R=sec-Bu, iso-Bu, and their bis(pyrazole) adducts

  摘要：

  The reaction between nickel(II) nitrate and potassium phosphorus-1,1-dithiolates (di-sec-butyl and di-iso-butyl) in methanol yields 2:1 complexes which were characterized by FT-IR and NMR spectroscopy. 2:1 pyrazole adducts of both compounds were also obtained.The X-ray diffraction analysis of the compounds reveals square planar, four-coordination geometry for the homoleptic compounds and a six-coordinated distorted octahedral geometry for the adducts. In Ni[S2P(OBus)(2)](2) the molecules are associated through C-H center dot center dot center dot O hydrogen bonds (2.652 angstrom), and in Ni[S2P(OBui)(2)](2) the molecules are associated through C-H center dot center dot center dot S hydrogen bonds (2.948 angstrom). The pyrazole adducts are associated through N-H center dot center dot center dot O bonds and N-H center dot center dot center dot S bonds from the pyrazole nitrogen atoms, to form supramolecular assemblies. Thus, Ni[S2P(OBus)(2)(Pz)(2)](2) (Pz = pyrazole) forms bi-dimensional layers through N-H center dot center dot center dot O and N-H center dot center dot center dot S bonds (2.502 and 2.965 angstrom, respectively), whereas Ni[S2P(OBui)(2)(Pz)(2)](2) forms linear chains with N-H center dot center dot center dot S bonds 2.728 angstrom. The dithiophosphato groups behave as isobidentate chelating ligands. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2010.07.017