bis[chloro(pyridine-2-thione)(triphenylphosphine)copper(I)] | 133598-59-1

• 英文名称: bis[chloro(pyridine-2-thione)(triphenylphosphine)copper(I)]
• CAS: 133598-59-1
• 化学式: C₅₂H₅₂Cl₂Cu₂N₂P₂S₂
• 分子量: 1029.08
• InChiKey: BFEMMLSBGOJGIN-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  CuCl{2(1H)-pyridinethione-S} 、 三对苯甲基膦 以 氯仿 为溶剂， 以70%的产率得到bis[chloro(pyridine-2-thione)(triphenylphosphine)copper(I)]
  参考文献：
  名称：

  吡啶硫醇和相关配体的化学反应-VII。制备和混合配位体铜（I）配合物的光谱：第一混合配体的双核的晶体结构[碘（吡啶-2-硫酮）（三- p -tolylphosphine）铜（I）] 2配合物

  摘要：

  碘化铜（I）与吡啶-2-硫酮（C 5 H 5 NS）和三对甲苯基膦（p- Tol 3 P）在回流的氯仿中以1：1：2的比例直接反应形成化学计量的产物，[CulC 5 H 5 NS（p -Tol 3 P）] 2（5），已经确定了其X射线晶体结构。它从二氯甲烷-乙醇混合物中结晶，并以一个中心对称的硫桥连二聚体形式存在，每个铜原子周围的四面体几何结构均发生扭曲。来自p -Tol 3的一个P原子占据了每个Cu原子的另外两个位置P和碘原子以及二聚体的中心核Cu 2 S 2是平面的。原子间重要参数是：CuP = 2.243（3），CuS，2.393（4），2.425（4），CuI，2.603（2），CS。1.690（12）Å，CuSCu，SCuS和CuSC键角分别为85.25（13），94.75（13）和107.0（4）。二聚体结构通过强分子内NH / 3.1氢键稳定。5和其他相关混合配体铜（I）配合物[CuX（C

  DOI：

  10.1016/s0277-5387(97)00188-5

文献信息

• Metal–heterocyclic thione interactions. 13. Pyridine-2-thione derivatives of copper(I): crystal structure of dinuclear [bromo(pyridine-2-thione)(tri-p-tolylphosphine)copper(I)]2 complex
  作者：Tarlok S Lobana、Alfonso Castineiras

  DOI：10.1016/s0277-5387(02)01006-9

  日期：2002.7

  The sulfur-bridged dinuclear copper (1) complex, [CuBr(eta(2)-S-mu-C5H5NS)(p-Tol(3)P)](2) (1) was prepared by the reaction of insoluble CuBr2(C5H5NS)(2) from copper(II) bromide and pyridine-2-thione(C5H5NS) in ethanol} with excess tri-p-tolylphosphine (p-Tol(3)P) in chloroform (1:2 mole ratio). Similarly, other copper(l) complexes of stoichiometry [CuX(C5H5NS)(Ph3P)](2) X = Cl, 2 and 1, 3 were prepared. Compound I crystallised from a dichloromethane-chloroform-methanol mixture and exists as a centrosymmetric sulfur-bridged dimer with distorted tetrahedral geometry about each Cu atom the other two positions of each Cu atom being occupied by a P atom from p-Tol(3)P and a bromine atom. The central core Cu2S2 of the dimer is a parallelogram with the important interatomic parameters as follows: Cu-P, 2.2376(13), Cu-S, 2.3895(19), 2.415(2), Cu-Br, 2.4455(l 1), S-C(2), 1.717(4), Cu-Cu*, 3.250(2), S-S*, 3.539(3) Angstrom; Cu-S-Cu*, 85.14(6), S-Cu-S*, 94.86(6), Cu-S-C(2). 108.41(14), 113.12(16)degrees. The dimer structure is stabilised by strong intramolecular N-H...Br hydrogen bonds [3.319(5) Angstrom]. The X-ray Study of 2 showed that it has transformed into monomer [CuCl(eta(1)-S-mu-C5H5NS)(Ph3P)(2)] (4) during crystal growth. The strong intramolecular N-H...Cl hydrogen bonding appears to stabilise the monomer. All the Compounds were characterised using analytical data, IR and far-IR (4000-100 cm(-1)), UV-Vis spectra, NMR (H-1, C-13) and for I and 4 using X-ray crystallography. The factors controlling Cu...Cu interaction in the sulfur-bridged dinuclear copper(l)-heterocyclic thione complexes are described. (C) 2002 Elsevier Science Ltd. All rights reserved.