{(dimethylsulfoxide)(chloro)(N,N'-di-n-butyldithiooxamidato)platinum(II)(1+),(Cl(1-))} | 149840-82-4

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: {(dimethylsulfoxide)(chloro)(N,N'-di-n-butyldithiooxamidato)platinum(II)(1+),(Cl(1-))}
• CAS: 149840-82-4
• 化学式: C₁₂H₂₅ClN₂OPtS₃*ClH
• 分子量: 576.535
• InChiKey: CVJVZEDNBZGYGA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  41.46
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  {(dimethylsulfoxide)(chloro)(N,N'-di-n-butyldithiooxamidato)platinum(II)(1+),(Cl(1-))} 以 氯仿 为溶剂， 生成 cis-dichlorobis(dimethylsulfoxide)platinum(II) 、 {bis(N,N'-di-n-butyldithiooxamidato)platinum(II)(2+),(Cl(1-))2}
  参考文献：
  名称：

  Platinum(II) complexes of N,N′-di-nbutyldithiooxamide showing a peculiar +NH···Cl− interaction. The crystal and molecular structure of bis-di-nbutyldithiooxamidato-platinum(II)

  摘要：

  N,N'-di-butyldithiooxamide, (n)bu2-DTO, reacts in chloroform with neutral complexes of the type cis-PtL2Cl2. When L=bz2S or 1/2COD the tight contact ion pair {Pt(H2-(n)bu2-DTO)22+,(Cl-)2} (1) is obtained for any metal to ligand ratio. When L is Me2SO the ion pair {(Me2SO)ClPt(H2-(n)bu2-DTO+,(Cl-)} (2) separates in the solid state on adding the ligand to platinum in a 1:1 ratio. This monochelate complex, however, is unstable in chloroformic solution where a symmetrization equilibrium with the corresponding bis-chelate ion pair 1 and the dichloroplatinum starting material can be found. Compound 1 by reaction with pyridine, dipyridine, phenanthroline or similar nitrogen Lewis bases loses one or both HCl molecules so giving {Pt(H-(n)bu2-DTO)(H2-(n)bu2-DTO)+,(CL-)} (3) or [Pt(H-(n)bu2-DTO)2] (4), depending on the base concentration. Dissolution of 1 in a basic solvent (DMF, alcohols) leads to the formation of the neutral species 4, which is also formed when a chloroformic solution of 1 undergoes a double phase reaction with the -OH group of H-OH, =Al-OH or =Si-OH. Compound 4 crystallizes in the monoclinic space group P2(1)/c, with a=10.572(2), b=10.748(1), c=12.165(2) angstrom, beta=93.37(2)degrees, V=1379.9(4) angstrom3, Z=2 and D(calc)=1.58 g cm-3 ; the structure was refined to R=0.033 and R(w)=0.038. The [Pt(H-(n)bu2-DTO)2] complex has imposed square-planar geometry about the Pt atom, two thioamide S atoms of the (n)bu2-DTO molecule acting as a chelating ligand. The two crystallographically independent values for the Pt-S bond distance are: Pt-S(1)=2.297(3) angstrom and Pt-S(2)=2.284(2) angstrom, the bond angles are very close to 90-degrees. The deprotonated complex [Pt(H-(n)bu2-DTO)2] (4) restores the ion pair by a double phase reaction with aqueous HCl, while none of the oxoacids is able to give {Pt(H2-nbu2-DTO)22+,(Ox-)2} (Ox-=oxoanion). As a consequence, the +N-H...Cl-hydrogen interaction in {Pt(H2-(n)bu2-DTO)22+,(Cl-)2} is thought to be crucial in stabilizing the tight ion pair.

  DOI：

  10.1016/s0020-1693(00)82884-4
• 作为产物：
  描述：

  cis-dichlorobis(dimethylsulfoxide)platinum(II) 、 di-nbutyl-dithiooxamide 以 氯仿 为溶剂， 生成 {(dimethylsulfoxide)(chloro)(N,N'-di-n-butyldithiooxamidato)platinum(II)(1+),(Cl(1-))}
  参考文献：
  名称：

  Platinum(II) complexes of N,N′-di-nbutyldithiooxamide showing a peculiar +NH···Cl− interaction. The crystal and molecular structure of bis-di-nbutyldithiooxamidato-platinum(II)

  摘要：

  N,N'-di-butyldithiooxamide, (n)bu2-DTO, reacts in chloroform with neutral complexes of the type cis-PtL2Cl2. When L=bz2S or 1/2COD the tight contact ion pair {Pt(H2-(n)bu2-DTO)22+,(Cl-)2} (1) is obtained for any metal to ligand ratio. When L is Me2SO the ion pair {(Me2SO)ClPt(H2-(n)bu2-DTO+,(Cl-)} (2) separates in the solid state on adding the ligand to platinum in a 1:1 ratio. This monochelate complex, however, is unstable in chloroformic solution where a symmetrization equilibrium with the corresponding bis-chelate ion pair 1 and the dichloroplatinum starting material can be found. Compound 1 by reaction with pyridine, dipyridine, phenanthroline or similar nitrogen Lewis bases loses one or both HCl molecules so giving {Pt(H-(n)bu2-DTO)(H2-(n)bu2-DTO)+,(CL-)} (3) or [Pt(H-(n)bu2-DTO)2] (4), depending on the base concentration. Dissolution of 1 in a basic solvent (DMF, alcohols) leads to the formation of the neutral species 4, which is also formed when a chloroformic solution of 1 undergoes a double phase reaction with the -OH group of H-OH, =Al-OH or =Si-OH. Compound 4 crystallizes in the monoclinic space group P2(1)/c, with a=10.572(2), b=10.748(1), c=12.165(2) angstrom, beta=93.37(2)degrees, V=1379.9(4) angstrom3, Z=2 and D(calc)=1.58 g cm-3 ; the structure was refined to R=0.033 and R(w)=0.038. The [Pt(H-(n)bu2-DTO)2] complex has imposed square-planar geometry about the Pt atom, two thioamide S atoms of the (n)bu2-DTO molecule acting as a chelating ligand. The two crystallographically independent values for the Pt-S bond distance are: Pt-S(1)=2.297(3) angstrom and Pt-S(2)=2.284(2) angstrom, the bond angles are very close to 90-degrees. The deprotonated complex [Pt(H-(n)bu2-DTO)2] (4) restores the ion pair by a double phase reaction with aqueous HCl, while none of the oxoacids is able to give {Pt(H2-nbu2-DTO)22+,(Ox-)2} (Ox-=oxoanion). As a consequence, the +N-H...Cl-hydrogen interaction in {Pt(H2-(n)bu2-DTO)22+,(Cl-)2} is thought to be crucial in stabilizing the tight ion pair.

  DOI：

  10.1016/s0020-1693(00)82884-4