{copper(I)(benz-1,3-imidazoline-2-thione)I}2 | 50884-01-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: {copper(I)(benz-1,3-imidazoline-2-thione)I}2
• 英文别名: 1H-benzimidazole-2-thiolate;copper(1+);hydroiodide
• CAS: 50884-01-0
• 化学式: 2C₇H₆N₂S*2Cu*2I
• 分子量: 681.309
• InChiKey: MCVLSMNVMWCFRC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.77
• 重原子数：
  12.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  31.58
• 氢给体数：
  2.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  {copper(I)(tri-p-tolylphosphine)(benz-1,3-imidazoline-2-thione)I}2 以 氯仿 为溶剂， 生成 {copper(I)(benz-1,3-imidazoline-2-thione)I}2 、 三对苯甲基膦
  参考文献：
  名称：

  Synthesis and photochemical study of Cu(I) complexes with tri-p-tolylphosphine and heterocyclic thiones. The crystal structure of [CuCl(pymtH)(p-CH3C6H4)3P]2

  摘要：

  Reactions of [Cu(tptp)X]4 (tptp = tri-p-tolyl-phosphine, X = Cl, Br or I) with heterocyclic thiones (L) [L = pyridine-2-thione (py2SH), pyrimidine-2-thione (pymtH), 1,3-thiazolidine-2-thione (tzdtH), 1-methyl-1,3-imidazoline-2-thione (meimtH), benz-1,3-imidazoline-2-thione (bzimtH2) and quinoline-2-thione (qntH)] yield binuclear complexes of the general formula [Cu(tptp)(L)X]2. The complexes have been characterized by elemental analyses, IR, UV-Vis and H-1 NMR spectroscopy. The photochemical behaviour of these complexes in chloroform solutions has been investigated. Irradiation causes the release of the phosphine and the formation of dinuclear compounds containing a Cu2S2 core. The crystal structure of [Cu(tptp)(pymtH)Cl]2 has been determined by single-crystal X-ray diffraction methods. The red crystals are triclinic, space group P1BAR with a = 19.512(2), b = 10.388(3), c = 14.474(2) angstrom, a = 99.00(2), beta = 73.28(1), gamma = 116.22(2)-degrees, D(calc) = 1.394 M m-3, V = 1228.2(4) angstrom3 and Z = 1. The molecule contains a planar Cu2S2 moiety with Cu-S bond lengths of 2.356(1) and 2.470(1) angstrom. The Cu-P and Cu-Cl distances are 2.227(1) and 2.300(1) angstrom, respectively. The Cu...Cu separation is 3.316(0) angstrom.

  DOI：

  10.1016/s0020-1693(00)88129-3