3,4-di(1H-1,2,4-triazol-1-yl)thiophene

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,4-di(1H-1,2,4-triazol-1-yl)thiophene
• 英文别名: 1-[4-(1,2,4-Triazol-1-yl)thiophen-3-yl]-1,2,4-triazole；1-[4-(1,2,4-triazol-1-yl)thiophen-3-yl]-1,2,4-triazole
• 化学式: C₈H₆N₆S
• 分子量: 218.242
• InChiKey: OAWRIKUBJLXEKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  89.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-di(1H-1,2,4-triazol-1-yl)thiophene 、 copper(I) thiocyanate 以 水 、 乙腈 为溶剂， 反应 192.02h， 以41.7%的产率得到[Cu₂(3,4-di(1H-1,2,4-triazol-1-yl)thiophene)(SCN)₂]_n
  参考文献：
  名称：

  Architectural alterations from 1D to 3D coordination polymers based on a pair of isomeric linear and V-shaped triazole/thiophene/triazole bridging ligands

  摘要：

  Four pairs of transition-metal [Co(II), Zn(II), Ni(II) and Cu(I)] coordination polymers have been prepared and characterized based on a pair of isomeric linear and V-shaped rigid thiophene-centered ditriazole bridging ligands [2,5-di(1H-1,2,4-triazol-1-yl)thiophene (L1) and 3,4-di(1H-1,2,4-triazol-1-yl)thiophene (L2)]. They are formulated as {[Co(L1)(2)(H2O)(2)](ClO4)(2)}(n) (1), {[Zn(L1)(2)(H2O)(2)](ClO4)(2)}(n) (2), {[Ni(L1)(2) (H2O)(2)](ClO4)(2)}(n) (3), {[Co(L2)(2)(H2O)(2)](ClO4)(2)}(n) (4), {[Zn(L2)(2)(H2O)(2)](ClO4)(2)}(n) (5), {[Ni(L2)(2) (H2O)(2)](ClO4)(2)}(n) (6), [Cu(L1)(CN)](n) (7) and [Cu-2(L2)(SCN)(2)](n) (8), where distinct metal/ligand ratios (1:2, 1:1 and 2:1) and dimensions [one-dimensional (1D), two-dimensional (2D) and three-dimensional (3D)] have been observed because of the alterations of the coordination modes of central metal ions, the shape and conformation of ligands and the participancy of counterions. X-ray single-crystal diffraction analyses reveal that 1D chains have been formed in the cases of 4-6, while 2D planes have been built in 1-3. In contrast, 3D networks have been constructed in 7 and 8 with different topologies because of the further linkage of CN- and SCN- counterions. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.06.026