| 50884-02-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• CAS: 50884-02-1
• 化学式: C₇H₆N₂S*Cl*Cu
• 分子量: 249.203
• InChiKey: IMOQCASBFYXJRO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.15
• 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：
  28.68
• 氢给体数：
  2.0
• 氢受体数：
  2.0

文献信息

• An X-Ray Photoelectron Spectroscopic Study of Several Metal Complexes of 2-Mercaptobenzimidazole and 2-Mercaptobenzoxazole
  作者：Tooru Yoshida

  DOI：10.1246/bcsj.53.1449

  日期：1980.5

  The X-ray photoelectron spectra of several metal complexes of 2-mercaptobenzimidazole and 2-mercaptobenzoxazole were measured in order to examine the mode of coordination of the ligands. From their N(1s) and S(2p3⁄2) chemical shifts, it was suggested that the ligands are coordinated through both the sulfur and nitrogen atoms in most of the complexes.

  测量了 2-巯基苯并咪唑和 2-巯基苯并恶唑的几种金属配合物的 X 射线光电子光谱，以检查配体的配位模式。根据它们的 N(1s) 和 S(2p3⁄2) 化学位移，表明配体通过大多数配合物中的硫和氮原子进行配位。
• The production of the sulphate anion by interaction of thioamides with copper compounds in pyridine solvent
  作者：Eric W. Ainscough、Alistair G. Bingham、Andrew M. Brodie

  DOI：10.1016/s0020-1693(00)87558-1

  日期：1985.1
• 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
  作者：P. Karagiannidis、S.K. Hadjikakou、P. Aslanidis、A. Hountas

  DOI：10.1016/s0020-1693(00)88129-3

  日期：1990.12

  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.