[Cu2(μ-I)2(η(1)-S-benzaldehyde thiosemicarbazone)2(triphenylphosphine)2] | 1205553-23-6

• 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: [Cu2(μ-I)2(η(1)-S-benzaldehyde thiosemicarbazone)2(triphenylphosphine)2]
• CAS: 1205553-23-6
• 化学式: C₅₂H₄₈Cu₂I₂N₆P₂S₂
• 分子量: 1263.97
• InChiKey: BEWWCCKLSLUDDQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  66.0
• 可旋转键数：
  14.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  100.82
• 氢给体数：
  4.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  copper(l) iodide 、 苯甲醛缩氨基硫 、 三苯基膦 以 氯仿 、 乙腈 为溶剂， 以65%的产率得到[Cu2(μ-I)2(η(1)-S-benzaldehyde thiosemicarbazone)2(triphenylphosphine)2]
  参考文献：
  名称：

  Mono- and di-nuclear complexes of thiosemicarbazones with copper(I): Synthesis, spectroscopy and structures

  摘要：

  Reactions of copper(I) halides with a series of thiosemicarbazones, namely, benzaldehyde thiosemicarbazone (R(1)R(2)C=N-NH-C(=S)-NH(2). R(1) = Ph, R(2) = H: Hbtsc), 2-benzoylpyridine thiosemicarbazone (R(1) = Ph, R(2) = py; Hbpytsc), and acetone thiosemicarbazone (R(1) = R(2) = Me; Hactsc), in the presence of PPh(3) has formed dimeric complexes, Viz. sulfur bridged [Cu(2)(mu-S-Hbtsc)(2)Br(2)(PPh(3))(2)]center dot 2H(2)O (1), iodo-bridged [Cu(2)(mu-1)(2)(eta(1)-S-Hbtsc)(2)(PPh(3))(2)] (2). and heterobridged [Cu(2)(mu(3)-S,N(3)-Hactsc)(eta(1)-Br)(mu-Br)(PPh(3))(2)] (3), as well as rnononuclear complexes [CuX(eta(1)-S-Hbpytsc)(PPh(3))(2)]center dot CH(3)CN (X = Br, 4; Cl, 5). Complexes 1, 2, 4 and 5 involve thiosemicarbazone ligands in eta(1)-S bonding mode while in compound 3, ligand acts in N(3), S-chelation-cum-S-bridging mode (mu(3)-S,N(3) mode). The intermolecular interactions such as, N(2)H center dot center dot center dot X, HN(1)H center dot center dot center dot X (X = S, Br, Cl), CH center dot center dot center dot pi interactions lead to 2D networks. All the complexes have been characterized with the help of elemental analyses, IR, (1)H, and (31)P NMR spectroscopy, and single crystal X-ray crystallography. The role of a solvent in alteration of nuclearity and bonding modes of complexes has been highlighted. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2009.08.028