(tetraphenyldithioimidodiphosphinato)(triphenylphosphine)copper(I) | 166770-94-1

• 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: (tetraphenyldithioimidodiphosphinato)(triphenylphosphine)copper(I)
• CAS: 166770-94-1
• 化学式: C₄₂H₃₅CuNP₃S₂
• 分子量: 774.346
• InChiKey: VQFZPFWFWWZQQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.79
• 重原子数：
  49.0
• 可旋转键数：
  8.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.36
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  potassium tetraphenyldithioimidodiphosphinate 、 bis(triphenylphosphane)copper(I) nitrate 以 甲醇 、 氯仿 为溶剂， 生成 (tetraphenyldithioimidodiphosphinato)(triphenylphosphine)copper(I)
  参考文献：
  名称：

  X-ray crystal structure of (tetraphenyldithiomidodiphosphinato) (triphenylphosphine)copper(I), (Ph3P)Cu(SPPh2)2N, a monocyclic inorganic (carbon-free) chelate ring compound

  摘要：

  The mononuclear (Ph(3)P)Cu(SPPh(2))(2)N compound was prepared by reacting (Ph(3)P)(2)CuNO3 with K[(SPPh(2))(2)N in MeOH/CHCl3 solvent mixture. The P-31 NMR spectrum has confirmed the loss of a triphenylphosphine molecule and the formation of the title compound. The crystal and molecular structure was determined by X-ray diffractometry. The compound is monoclinic, space group P2(1)/c, a = 18.826(2), b = 10.619(2), c = 20.587(2) Angstrom, beta = 112.46(2)degrees, V = 3803.6(8) Angstrom(3), Z = 4. Th, lattice contains monomeric (Ph(3)P)Cu(SPPh(2))(2)N units, with three-coordinated copper(I) atoms in a distorted trigonal geometry [S(1)-Cu-S(2) 121.5(1), S(1)-Cu-P(3) 126.1(1) and S(2)-Cu-P(3)112.2(1)degrees]. The dithioligand is monometallic biconnective and within the resulted CuS2P2N inorganic ring the Cu-S [2.215(2), 2.258(2) Angstrom], S-P [2.017(2), 2.012(3) Angstrom] and P-N [1.582(5), 1.592(5) Angstrom] bond lengths suggest a pi -electron delocalization over the P-N-P fragment. The conformation of the six-membered ring is non-planar.

  DOI：

  10.1016/0277-5387(94)00342-c