[Pt(NClCHO)(pyridine)2Cl3]*(acetonitrile) | 1130009-83-4

• 英文名称: [Pt(NClCHO)(pyridine)2Cl3]*(acetonitrile)
• CAS: 1130009-83-4
• 化学式: C₂H₃N*C₁₁H₁₁Cl₄N₃OPt
• 分子量: 579.172
• InChiKey: KRKJTFVWUKOVAT-UHFFFAOYSA-J

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

• 作为反应物：
  描述：

  [Pt(NClCHO)(pyridine)2Cl3]*(acetonitrile) 、 硝酸 在 HCl 作用下， 以 水 为溶剂， 生成 [Pt(NHCHOH)(pyridine)2Cl3]NO3
  参考文献：
  名称：

  Oxidation of coordinated ethylenediamine with chlorine in the platinum complex [PtEnPy2C2]Cl2. The crystal structures of [PtPy2(NCl-CH=O)Cl3] · CH3CN, [PtPy2(NH=CH-OH)Cl3]NO3, and [PtPy2(NH=CH-OH)2Cl2](ClO4)2

  摘要：

  Chlorination of [PtEnPy(2)Cl(2)]Cl-2 in an aqueous solution yielded an insoluble product ( I) as a mixture of chloramine complexes containing the C=O group and two pyridine molecules. The triamine-type complex [PtPy2(NCl-CH=O)Cl-3] center dot CH3CN (II) was isolated in the crystalline state from complex I by extraction with acetonitrile. Dechlorination of II in concentrated HCl yielded crystals of nitrate [PtPy2(NH=CH-OH)Cl-3]NO3 (III). Dechlorination of complex I gave perchlorates [PtPy2(NH3)(2)Cl-2](ClO4)(2) and [PtPy2(NH=CH-OH)(2)Cl-2](ClO4)(2) (IV) in the crystalline state. Complexes II, III, and IV were studied by X-ray diffraction and characterized by IR spectroscopy. Crystals of complex II are triclinic, space group P-1, a = 8.081(1) angstrom, b = 8.973(2) angstrom, c = 12.964(2) angstrom, alpha = 88.93(1), degrees beta = 88.10(2)degrees, gamma = 79.58(2)degrees, V = 923.9(3) angstrom(3), Z = 2, R-hkl = 0.042; nu(C=O) = 1648 cm(-1); C=O = 1.23(2) angstrom, N-Cl = 1.69(1) angstrom, the NCO angle is 126(1)degrees. Crystals of complex III are orthorhombic, space group P2(1)2(1)2(1), a = 10.381(2), b = 11.776(2), c = 13.848(3) angstrom, V = 1692.9(6) angstrom(3), Z = 4; R-hkl = 0.034; C-N = 1.27(2) angstrom, C-O = 1.27(1) angstrom, the NCO angle is 121(1)degrees. Crystals of complex IV are orthorhombic, space group Pbca, a = 18.276(4) angstrom, b = 10.530(2) angstrom, c = 22.522(5) angstrom, V = 4334.3(2) angstrom(3), Z = 8, R-hkl = 0.039; C=N = 1.23(2) and 1.21(3) angstrom, C-O = 1.31(2) and 1.38(3) angstrom, the NCO angles are 119(2)degrees and 122(2)degrees.

  DOI：

  10.1134/s003602360712011x
• 作为产物：
  描述：

  氯 、 乙腈 、 [Pt(ethylenediamine)(pyridine)2Cl2]Cl2*2H2O 以 水 为溶剂， 生成 [Pt(NClCHO)(pyridine)2Cl3]*(acetonitrile)
  参考文献：
  名称：

  Oxidation of coordinated ethylenediamine with chlorine in the platinum complex [PtEnPy2C2]Cl2. The crystal structures of [PtPy2(NCl-CH=O)Cl3] · CH3CN, [PtPy2(NH=CH-OH)Cl3]NO3, and [PtPy2(NH=CH-OH)2Cl2](ClO4)2

  摘要：

  Chlorination of [PtEnPy(2)Cl(2)]Cl-2 in an aqueous solution yielded an insoluble product ( I) as a mixture of chloramine complexes containing the C=O group and two pyridine molecules. The triamine-type complex [PtPy2(NCl-CH=O)Cl-3] center dot CH3CN (II) was isolated in the crystalline state from complex I by extraction with acetonitrile. Dechlorination of II in concentrated HCl yielded crystals of nitrate [PtPy2(NH=CH-OH)Cl-3]NO3 (III). Dechlorination of complex I gave perchlorates [PtPy2(NH3)(2)Cl-2](ClO4)(2) and [PtPy2(NH=CH-OH)(2)Cl-2](ClO4)(2) (IV) in the crystalline state. Complexes II, III, and IV were studied by X-ray diffraction and characterized by IR spectroscopy. Crystals of complex II are triclinic, space group P-1, a = 8.081(1) angstrom, b = 8.973(2) angstrom, c = 12.964(2) angstrom, alpha = 88.93(1), degrees beta = 88.10(2)degrees, gamma = 79.58(2)degrees, V = 923.9(3) angstrom(3), Z = 2, R-hkl = 0.042; nu(C=O) = 1648 cm(-1); C=O = 1.23(2) angstrom, N-Cl = 1.69(1) angstrom, the NCO angle is 126(1)degrees. Crystals of complex III are orthorhombic, space group P2(1)2(1)2(1), a = 10.381(2), b = 11.776(2), c = 13.848(3) angstrom, V = 1692.9(6) angstrom(3), Z = 4; R-hkl = 0.034; C-N = 1.27(2) angstrom, C-O = 1.27(1) angstrom, the NCO angle is 121(1)degrees. Crystals of complex IV are orthorhombic, space group Pbca, a = 18.276(4) angstrom, b = 10.530(2) angstrom, c = 22.522(5) angstrom, V = 4334.3(2) angstrom(3), Z = 8, R-hkl = 0.039; C=N = 1.23(2) and 1.21(3) angstrom, C-O = 1.31(2) and 1.38(3) angstrom, the NCO angles are 119(2)degrees and 122(2)degrees.

  DOI：

  10.1134/s003602360712011x