(O-ethyldithiocarbonato-κ2S,S')bis(triphenylphosphine-κP)silver(I) | 15656-64-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (O-ethyldithiocarbonato-κ2S,S')bis(triphenylphosphine-κP)silver(I)
• 英文别名: (O-ethyldithiocarbonato-κ2S,S')bis(triphenylphosphine-κP)silver(I) C39H35AgOP2S2, triclinic, P(-1)；silver;ethoxymethanedithioate;triphenylphosphane
• CAS: 15656-64-1；71504-68-2
• 化学式: C₃₉H₃₅AgOP₂S₂
• 分子量: 753.654
• InChiKey: CLPNPCKRLSPPBH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.74
• 重原子数：
  45
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  42.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  chloro(triphenylphosphine)silver(I) 、 zinc ethylxanthate 以 二氯甲烷 为溶剂， 以66%的产率得到(O-ethyldithiocarbonato-κ2S,S')bis(triphenylphosphine-κP)silver(I)
  参考文献：
  名称：

  A new polymorph of (O-ethyl dithiocarbonato-κ²S,S′)bis(triphenylphosphine-κP)silver(I)

  摘要：

  A new triclinic polymorphic modification of the title compound, [Ag(C3H5OS2)(C18H15P)(2)], has been found and compared with the previously known orthorhombic modification [Tiekink (1988). Coord. Chem. 17, 239-243]. The two polymorphs have the same molecular shape, viz. a distorted tetrahedral geometry, with a chelating dithiocarbonate (xanthate) and two PPh3 ligands bonded to the Ag atom. However, in this new polymorph, the xanthate ligand is bonded asymmetrically to the Ag atom, with Ag-S distances of 2.5489 (6) and 2.8055 (7) Angstrom, while for the orthorhombic polymorph these distances are 2.686 (4) and 2.601 (4) Angstrom. The Ag-P distances are similar in both structures.

  DOI：

  10.1107/s0108270103003445