dicyano-1κ(2)C-bis-(dimethylthiourea)-2κ(2)S-digold(I)(Au-Au) | 288088-85-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: dicyano-1κ(2)C-bis-(dimethylthiourea)-2κ(2)S-digold(I)(Au-Au)
• 英文别名: 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)；1,3-dimethylthiourea;gold(1+);dicyanide
• CAS: 288088-85-7
• 化学式: C₈H₁₆Au₂N₆S₂
• 分子量: 654.32
• InChiKey: SGIUKHFIVWZANB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.39
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  160
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  氰化亚金 、 N,N'-二甲基硫脲 以 水 为溶剂， 以73%的产率得到dicyano-1κ(2)C-bis-(dimethylthiourea)-2κ(2)S-digold(I)(Au-Au)
  参考文献：
  名称：

  1,2-Dicyano-1,2-bis(imidazolidine-2-thione)digold(I) and 2,2-dicyano-1,1-bis(dimethylthiourea)digold(I)

  摘要：

  Gold(I) cyanide forms complexes with imidazolidine-2-thione (etu) and dimethylthiourea (dmtu) with the formula [Au(2) (CN)(2)L(2)], i.e. the title complexes dicyano-1 kappa C,2 kappa C-bis(imidazolidine-2-thione)-1 kappa S,2 kappa S-digold(I)(Au-Au), [Au(2) (CN)(2) (C(3)H(6)N(2)S)(2)], and dicyano-1 kappa(2) C-bis(N,N'-dimethylthiourea)-2 kappa(2) S-digold(I)(Au-Au), [Au(2) (CN)(2) (C(3)H(8)N(2)S)(2)]. In the etu complex, two approximately linear (etu)AuCN groups are held together by a weak homopolar Au-Au bond [3.117 (1) Angstrom], with a torsion angle of 61 (3)degrees between the two groups. In the dmtu complex, an approximately linear Au(dmtu)2 group is bound to an approximately linear Au(CN)(2) group by a weak heteropolar Au-Au bond [3.091 (1) Angstrom], with a torsion angle of 83 (5)degrees between the two groups.

  DOI：

  10.1107/s0108270100005783