C2H3N*C12H30O3P2S4U, yellow, monoclinic, P21/C | 190122-10-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: C2H3N*C12H30O3P2S4U, yellow, monoclinic, P21/C
• CAS: 190122-10-2
• 化学式: C₂H₃N*C₁₂H₃₀O₃P₂S₄U
• 分子量: 691.661
• InChiKey: PMKSEPCVIPDEOG-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：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  C2H3N*C12H30O3P2S4U, yellow, monoclinic, P21/C 、 C₂H₃N*C₁₂H₃₀O₃P₂S₄U, orange-yellow, orthorhombic, PBCA 以 neat (no solvent) 为溶剂， 生成
  参考文献：
  名称：

  Dithiophosphinate complexes of the UO22+ ion containing a coordinated water molecule — solid state structures and stereochemical rigidity in solution

  摘要：

  Complexes of formula [UO2{S2P(Pr-i)(2)}(2).H2O] have been isolated either unsolvated (I) or as acetonitrile solvates (II and III). They have been characterized by X-ray crystallography and NMR spectroscopy. The UO3S4 core deformation from ideal geometry varies widely in the solid state and is shown to become stereochemically rigid at moderately low temperature in solution. Crystal data for complex I:[UO2{S2P(Pr-i)(2)}(2).H2O], C12H30O3P2S4U, Mr=650.61. monoclinic, P2(1)/c, a=8.685(1), b=12.445(1), c=21.536(3) Angstrom, beta=94.78(1)degrees V=2320(1) Angstrom(3), Z=4, D-x=1.86 g cm(-3), R=0.028; complex II: [UO2{S2P(Pr-i)(2)}(2).H2O].MeCN, C14H33NO3P2S4U, Mr=691.66, orthorhombic, Pbca, a=28.831(3), b=16.536(2), c=10.801(1) Angstrom, V=5149(2) Angstrom(3), Z=8, D-x=1.78 g cm(-3), R=0.042; complex III: [UO2{S2P(Pr-i)(2)}(2).H2O].MeCN, C14H33NO3P2S4 U, Mr=691.66, monoclinic, P2(1)/c, a=14.626(2), b=16.468(2), c=10.873(2) Angstrom, beta=100.29(1)degrees, V=2577(i) Angstrom(3), Z=4, D-x=1.78 g cm(-3), R=0.054.

  DOI：

  10.1016/s0020-1693(96)05460-6
• 作为产物：
  描述：

  uranyl chloride hydrate 、 ammonium diisopropyldithiophosphinate 以 乙腈 为溶剂， 生成 C2H3N*C12H30O3P2S4U, yellow, monoclinic, P21/C 、 、 C₂H₃N*C₁₂H₃₀O₃P₂S₄U, orange-yellow, orthorhombic, PBCA
  参考文献：
  名称：

  Dithiophosphinate complexes of the UO22+ ion containing a coordinated water molecule — solid state structures and stereochemical rigidity in solution

  摘要：

  Complexes of formula [UO2{S2P(Pr-i)(2)}(2).H2O] have been isolated either unsolvated (I) or as acetonitrile solvates (II and III). They have been characterized by X-ray crystallography and NMR spectroscopy. The UO3S4 core deformation from ideal geometry varies widely in the solid state and is shown to become stereochemically rigid at moderately low temperature in solution. Crystal data for complex I:[UO2{S2P(Pr-i)(2)}(2).H2O], C12H30O3P2S4U, Mr=650.61. monoclinic, P2(1)/c, a=8.685(1), b=12.445(1), c=21.536(3) Angstrom, beta=94.78(1)degrees V=2320(1) Angstrom(3), Z=4, D-x=1.86 g cm(-3), R=0.028; complex II: [UO2{S2P(Pr-i)(2)}(2).H2O].MeCN, C14H33NO3P2S4U, Mr=691.66, orthorhombic, Pbca, a=28.831(3), b=16.536(2), c=10.801(1) Angstrom, V=5149(2) Angstrom(3), Z=8, D-x=1.78 g cm(-3), R=0.042; complex III: [UO2{S2P(Pr-i)(2)}(2).H2O].MeCN, C14H33NO3P2S4 U, Mr=691.66, monoclinic, P2(1)/c, a=14.626(2), b=16.468(2), c=10.873(2) Angstrom, beta=100.29(1)degrees, V=2577(i) Angstrom(3), Z=4, D-x=1.78 g cm(-3), R=0.054.

  DOI：

  10.1016/s0020-1693(96)05460-6