[CuCr(pyridine-2-thione)] | 126807-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [CuCr(pyridine-2-thione)]
• CAS: 126807-72-5
• 化学式: Br*C₅H₅NS*Cu
• 分子量: 254.617
• InChiKey: JDTOSKDSMOWBQZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.25
• 重原子数：
  9.0
• 可旋转键数：
  0.0
• 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：
  1.0

反应信息

• 作为产物：
  描述：

  2-巯基吡啶 以 氯仿 、 丙酮 为溶剂， 生成 [CuCr(pyridine-2-thione)]
  参考文献：
  名称：

  1,2-双（二苯基膦基）苯和某些杂环硫酮的溴化铜（I）配合物

  摘要：

  报道了一系列含有1,2-双（二苯基膦基）苯（dppbz）和一些杂环硫酮（L）的混合配体溴化铜（I）配合物的合成，表征和固态发射特性。通过在乙腈/甲醇或丙酮溶液中向CuBr-二膦加合物中添加适当的硫酮，可以轻松合成配合物。[CuBr（dppbz）（py2SH）]，[CuBr（dppbz）（pymtH）]和[CuBr（dppbz）（imdtH 2）的分子结构）]是通过单晶X射线衍射建立的。这些结构中的每一个都具有一个四面体的铜（I）中心，该中心具有两个来自螯合双磷配体的磷原子，一个溴和杂环硫酰胺单元的环外硫原子。当它们的氯仿溶液在室温下放置几周后，混合配体复合物就会通过配体解离而缓慢分解。基于元素分析，NMR和IR光谱，发现所得的有色晶体包含组成为[CuBr（L）]的不含膦的配位聚合物。在室温下，某些处于固态的分子配合物表现出强发射，这归因于Cu（I）→π*（PPh 2）类型的金属-配体电荷转移。

  DOI：

  10.1016/j.ica.2005.04.042

文献信息

• Copper complexes of 1,3-bis(2-pyridyl)-1-thiapropane (bpt) and pyridine-2(1H)-thione. Crystal structure of [{Cu(μ-O2CMe)2(bpt)}2 ] and metal-promoted cleavage of bpt
  作者：Sian C. Davies、Marcus C. Durrant、David L. Hughes、Kerstin Leidenberger、Christian Stapper、Raymond L. Richards

  DOI：10.1039/a700711f

  日期：——

  The reactivity of the asymmetric thioether 1,3-bis(2-pyridyl)-1-thiapropane [1-(2-pyridyl)-2-(2-pyridylsulfanyl)ethane] (bpt) with copper-(I) and -(II) starting materials has been investigated. Reaction with [Cu(NCMe) 4 ]PF 6 in MeCN gave a cluster formulated as [Cu 4 (bpt) 6 ][PF 6 ] 4 , whilst reaction in tetrahydrofuran resulted in partial cleavage of bpt to give the mixed thionato–thioether complex [Cu 2 (SC 5 H 4 N)(bpt)]PF 6 [SC 5 H 4 NH = pyridine-2(1H)- thione]. Reaction with [Cu 2 (µ-O 2 CMe) 4 ] in MeOH gave the dimer [Cu(µ-O 2 CMe) 2 (bpt)} 2 ], whose crystal structure shows that the bpt ligands are monodentate and co-ordinated via the N atom remote from the thioether. The compound bpt undergoes cleavage with other copper(II) salts such as Cu(BF 4 ) 2 , ultimately giving the hexameric copper(I) complex [Cu 6 (SC 5 H 4 N) 6 ]. The details of this reaction have been investigated. Reaction of SC 5 H 4 NH with Cu(NO 3 ) 2 in the presence of HNO 3 gave [Cu(NO 3 )(SC 5 H 4 NH) 2 ], which in turn reacted progressively with PPh 3 to give [Cu(NO 3 )(SC 5 H 4 NH) 2 (PPh 3 )] and the known complex [Cu(SC 5 H 4 NH) 2 (PPh 3 ) 2 ]NO 3 , whose crystal structure has been determined. Other complexes of SC 5 H 4 NH with copper(I) and a range of anions have been prepared, and the crystal structure of the dimer [Cu 2 (SC 5 H 4 NH) 6 ][MeC 6 H 4 SO 3 ] 2 is reported.

  不对称硫醚1,3-双(2-吡啶基)-1-硫代丙烷[1-(2-吡啶基)-2-(2-吡啶硫基)乙烷](bpt)与铜(I)和铜(II)起始物的反应活性已进行了研究。在MeCN中与[Cu(NCMe)_4]PF_6反应得到簇合物[Cu_4(bpt)_6][PF_6]_4,而在四氢呋喃中反应则导致bpt的部分裂解,得到硫氰酸根-硫醚混合配合物[Cu_2(SC_5H_4N)(bpt)]PF_6[SC_5H_4NH=2(1H)-吡啶硫酮]。在MeOH中与[Cu_2(µ-O_2CMe)_4]反应得到二聚体[Cu(µ-O_2CMe)_2(bpt)]_2,其晶体结构表明bpt配体是单齿配位的,并与硫醚远的氮原子进行配位。bpt与铜(II)盐,例如Cu(BF_4)_2,发生裂解反应,最终得到六核铜(I)配合物[Cu_6(SC_5H_4N)_6]。该反应的细节已经进行了研究。SC_5H_4NH与Cu(NO_3)_2在HNO_3存在下反应得到[Cu(NO_3)(SC_5H_4NH)_2],后者逐步与PPh_3反应,依次得到[Cu(NO_3)(SC_5H_4NH)_2(PPh_3)]和已知的配合物[Cu(SC_5H_4NH)_2(PPh_3)_2]NO_3,其晶体结构已被测定。SC_5H_4NH与其他铜(I)配合物以及一系列阴离子已制备出其它配合物。报告了二聚体[Cu_2(SC_5H_4NH)_6][MeC_6H_4SO_3]_2的晶体结构。
• 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.