1,3-双(2-吡啶硫代)丙烷 | 625096-72-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 中文名称: 1,3-双(2-吡啶硫代)丙烷
• 英文名称: 1,3-bis(2-pyridylthio)propane
• 英文别名: 2-(3-pyridin-2-ylsulfanylpropylsulfanyl)pyridine
• CAS: 625096-72-2
• 化学式: C₁₃H₁₄N₂S₂
• 分子量: 262.4
• InChiKey: ZQYXRBCHRQIHKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  76.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-双(2-吡啶硫代)丙烷 、 copper(l) chloride 在 O₂ 作用下， 以 氯仿 、 乙腈 为溶剂， 生成 [CuCl2(1,3-bis(2-pyridylthio)propane)]2
  参考文献：
  名称：

  A novel bimetallic macrocyclic CuII complex with a flexible pyridyl dithioether ligand

  摘要：

  A novel Cu-II complex with a pyridyl dithioether ligand [Cu(L)Cl-2](2) (1) [L = 1,3-bis(2-pyridylthio)propane], has been synthesized and structurally characterized by X-ray diffraction analysis. Complex 1 crystallizes in monoclinic system, space group P2(1)/n, a = 14.208(5), b = 8.586(3), c = 14.309(5) Angstrom, beta = 116.787(6)degrees and Z = 4. In this complex, the ligand adopts N,N-bidentate coordination mode with two pyridine nitrogens in syn-form, and two ligands equivalently bridge two Cu-II centers to form a 20-membered macrometallacyclic structure. Each Cu-II center is four-coordinated by two nitrogen donors from two distinct L ligands and two chloride anions in trans-form. In addition, the weak C-H-. . . Cl hydrogen-bonding interactions link these dimeric units into a three-dimensional supramolecular architecture. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2004.01.013

文献信息

• Adjusting the Frameworks of Silver(I) Complexes with New Pyridyl Thioethers by Varying the Chain Lengths of Ligand Spacers, Solvents, and Counteranions
  作者：Xian-He Bu、Ya-Bo Xie、Jian-Rong Li、Ruo-Hua Zhang

  DOI：10.1021/ic034454j

  日期：2003.11.1

  structures of Ag(I) complexes, and the differences between 3, 5, and 6 show counteranion effects in polymerization of Ag(I) complexes. The influences of counterions and solvents on the frameworks of these complexes are probably based upon the flexibility of ligands and the wide coordination geometries of Ag(I) ions. The results of this study indicate that the frameworks of the Ag(I) complexes with pyridyl

  [[AgL（4）]（ClO（4））（C（3）H（6）O）]（无穷大）（4），[[Ag（2）L（4）]（NO（3））（ 2）]（无穷大）（5），[Ag（2）L（4）（）（CF（3）SO（3））（2）]（无穷大）（6），[[AgL（5）]（ ClO（4））（CHCl（3））]（2）（7）和[[AgL（6）（）]（ClO（4））]（无穷大）（8）。通过单晶X射线衍射分析确定所有结构。发现这些配体的配位模式从N，N-双齿型到N，N，S-三齿型到N，N，S，S-四齿型不等，而Ag（I）中心采用二，三-，或具有不同协调环境的四坐标几何。1、2、3、7和8的结构差异表明，间隔单元上的细微变化会极大地影响末端吡啶基硫烷基的配位模式和Ag（I）离子的配位几何形状。3和4的结构差异表明溶剂对Ag（I）配合物的结构也有很大影响，而3、5和6之间的差异在Ag（I）配合物的聚合反应中显示出抗衡阴离子的作用。抗衡离子
• Polymeric silver(i) complexes with pyridyl dithioether ligands: experimental and theoretical investigations on the coordination properties of the ligandsElectronic supplementary information (ESI) available: ESI-MS spectra. See http://www.rsc.org/suppdata/dt/b3/b315320g/
  作者：Ya-Bo Xie、Chong Zhang、Jian-Rong Li、Xian-He Bu

  DOI：10.1039/b315320g

  日期：——

  to form normal coordination bonds, while the sulfur atoms only show weak interactions with silver atoms and the intermolecular AgS weak contacts connect the low-dimensional complexes into high-dimensional supramolecular networks. Additional weak interactions, such as pi-pi stacking, F...F weak interactions, Ag...O contacts or C-H...O hydrogen bonds, also help to stabilize the crystal structures. It was

  四个灵活的四齿配体，1,3-双（2-吡啶硫基）丙烷（L1），1,4-双（2-吡啶硫基）丁烷（L2），1,5-双（2-吡啶硫基）戊烷（ L3）和1,6-双（2-吡啶硫基）己烷（L4）与AgX（X = BF4-，ClO4-，PF6-或CF3SO3-）导致形成七个新的配合物：[AgL1（BF4）] 2（1），[[AgL2]（ClO4）]无穷大（2），[[AgL2（CH3CN）]（PF6）]无穷大（3），[[AgL3]（BF4）（CHCl3）] 2（4）， [[AgL3（CF3SO3）]（CH3OH）（0.5）]无穷大（5），[[Ag2L4（2）]（BF4）2]无穷大（6）和[[AgL4]（PF6）]无穷大（7），通过元素分析，红外光谱和X射线晶体学对其进行了表征。单晶X射线分析表明，配合物1和4具有双核大金属环结构，而配合物2、3和5-7具有链结构。在所有的综合体中 配体的氮原子优先与银原子配位
• A novel bimetallic macrocyclic CuII complex with a flexible pyridyl dithioether ligand
  作者：Ya-Bo Xie、Guang-Hua Cui、Xian-He Bu

  DOI：10.1016/j.molstruc.2004.01.013

  日期：2004.11

  A novel Cu-II complex with a pyridyl dithioether ligand [Cu(L)Cl-2](2) (1) [L = 1,3-bis(2-pyridylthio)propane], has been synthesized and structurally characterized by X-ray diffraction analysis. Complex 1 crystallizes in monoclinic system, space group P2(1)/n, a = 14.208(5), b = 8.586(3), c = 14.309(5) Angstrom, beta = 116.787(6)degrees and Z = 4. In this complex, the ligand adopts N,N-bidentate coordination mode with two pyridine nitrogens in syn-form, and two ligands equivalently bridge two Cu-II centers to form a 20-membered macrometallacyclic structure. Each Cu-II center is four-coordinated by two nitrogen donors from two distinct L ligands and two chloride anions in trans-form. In addition, the weak C-H-. . . Cl hydrogen-bonding interactions link these dimeric units into a three-dimensional supramolecular architecture. (C) 2004 Elsevier B.V. All rights reserved.