CuCl{2(1H)-pyridinethione-S} | 111172-75-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: CuCl{2(1H)-pyridinethione-S}
• CAS: 111172-75-9
• 化学式: C₅H₅ClCuNS
• 分子量: 210.166
• InChiKey: DXKQIGMOVGIPMQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.43
• 重原子数：
  9.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  15.79
• 氢给体数：
  1.0
• 氢受体数：
  0.0

反应信息

• 作为反应物：
  描述：

  CuCl{2(1H)-pyridinethione-S} 在 三苯基膦 作用下， 以 氯仿 为溶剂， 生成 CuCl(κ1-pyridine-2-thione)(PPh3)2
  参考文献：
  名称：

  Lobana, Tarlok S.; Bhatia, Paramjit K., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1990, vol. 29, # 12, p. 1225 - 1227

  摘要：

  DOI：
• 作为产物：
  描述：

  copper(l) chloride 、 2-巯基吡啶 以 乙腈 为溶剂， 生成 CuCl{2(1H)-pyridinethione-S}
  参考文献：
  名称：

  杂环-2-硫酮的金属衍生物：可变的给体能力，CS断裂和新的结构基序

  摘要：

  基于杂环-2-硫酮的硫配体的化学结构，即吡啶-2-硫酮（SNC 5 H 5），咪唑烷-2-硫酮（SN 2 C 3 H 6），咪唑啉-2-硫酮（SN 2 C 3 H 4），1-甲基咪唑啉-2-硫酮（SN 2 C 4 H 6）和噻唑烷-2-硫酮（S 2 NC 3 H 5）以及造币和一些其他金属。还讨论了C–S断裂后新产品的合成，溶剂作用，分离和晶体结构。例如，溴化铜（I）与1-甲基-咪唑啉-2-硫酮（SN2 C 4 H 6）在乙腈中形成Cu \（^ {\ textrm {I}} \）三核配合物{Cu \（_ {3}（{\ kappa} ^ {1} \）- Br）3（μ -SN 2 C 4 H 6）3 }·CH 3 CN。在氯仿存在下，该反应涉及C–S键断裂，硫氧化为硫酸根和环溴化并形成四核簇Cu \（_ {4}（\ kappa ^ {1} \）- N-（N 2 ç 4 ħ 5溴）4（μ 4 -O）（μ

  DOI：

  10.1007/s12039-012-0327-0

文献信息

• The chemistry of pyridinethiols and related ligands—VII. Preparation and spectroscopy of mixed-ligand copper(I) complexes: the crystal structure of first mixed-ligand dinuclear [iodo(pyridine-2-thione)(tri-p-tolylphosphine)copper(I)]2 complex
  作者：Tarlok S. Lobana、Seema Paul、Alfonso Castineiras

  DOI：10.1016/s0277-5387(97)00188-5

  日期：1997.9

  central core Cu2S2 of the dimer is planar. The interatomic important parameters are: CuP= 2.243(3), CuS, 2.393(4), 2.425(4), CuI, 2.603(2), CS. 1.690(12)Å, CuSCu, SCuS, and CuSC bond angles are 85.25(13), 94.75(13) and 107.0(4) respectively. The dimer structure is stabilised by strong intramolecular NH/3.I hydrogen bonds. The solution phase behaviour of5 and other related mixed-ligand copper(I) complexes

  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
• 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.
• 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.
• Lobana, Tarlok S.; Bhatia, K. Paramjit; Tiakink, Edward R. T., Journal of the Chemical Society, Dalton Transactions, 1989, p. 749 - 752
  作者：Lobana, Tarlok S.、Bhatia, K. Paramjit、Tiakink, Edward R. T.

  DOI：——

  日期：——