3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole | 1251749-18-4

• 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: 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole
• 英文别名: 2-(3-Pyridin-2-yl-5-pyridin-4-yl-1,2,4-triazol-4-yl)pyridine；2-(3-pyridin-2-yl-5-pyridin-4-yl-1,2,4-triazol-4-yl)pyridine
• CAS: 1251749-18-4
• 化学式: C₁₇H₁₂N₆
• 分子量: 300.322
• InChiKey: IXMSMVPPRSXCOQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole 以 甲醇 、 水 为溶剂， 反应 168.0h， 生成 {[Ag(3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole)](BF₄)}_n
  参考文献：
  名称：

  选择性和不可逆阴离子交换诱导的层状Ag（I）亚硝酸根配位聚合物的结构转变

  摘要：

  一系列Ag I配位聚合物，{[Ag 2 L] [Ag 1/2（ONO）2（NO 2）1/2 ]（H 2 O）} n（1），{[AgL]（BF 4） } n（2）和{[Ag 2 L 2 ]（ClO 4）2 } n（3）是通过组装AgX（X – = NO 2 –，BF 4 –和ClO 4 –）与3,4-双（2-吡啶基）-5-（4-吡啶基）-1,2,4-三唑（L）。单晶X射线衍射分析表明，1 - 3示出明显的二维网络和晶格堆积，与抗衡将[Ag 1/2（ONO）2（NO 2）1/2 ] 2-，BF 4 - ，和ClO 4 –位于夹层空隙中。有趣的是，当将1的晶体浸入BF 4 –或ClO 4 –阴离子的水溶液中时，2或3可以通过阴离子驱动的结构转化不可逆地形成。还已通过PXRD，元素分析，FT-IR和SEM-EDS对这一过程进行了研究，揭示了溶剂介导的机理。此外，动态阴离子交换行为具有高度的阴离子选择性，但与阳离子无关。

  DOI：

  10.1021/acs.cgd.7b00020

文献信息

• Anion-directed assembly and crystal transformation of Ag(I) coordination polymers with a versatile tripyridyltriazole ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole
  作者：Cheng-Peng Li、Jing Chen、Wei Guo、Miao Du

  DOI：10.1016/j.jssc.2014.06.038

  日期：2015.3

  A series of distinct Ag(I) coordination polymers, namely [Ag-2(L-224)(H2O)(3)](SiF6)(H2O)(4)}(n) (1), [Ag-2(L-224)(2)(NO3)] (NO3)(H2O)) (3), [Ag-2(L-224)(OOCC6H5)(H2O)](NO3)(H2O)(2)}(n) (4), and [Ag(L-224)(2)](CF3SO3)(H2O)(0.25)}(n) (5) have been synthesized by assembling a versatile ligand 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole (L-224) with different Ag(I) salts. Their diverse 1D and 2D coordination arrays indicate the critical role of counterions in structural assemblies. Interestingly, single-crystal-to-single-crystal (SC-SC) transformation from 1 to [Ag-2(L-224) (CF3COO)(2)(H2O)](H2O)}(n), (2) will occur in the water solution of Ag(CF3COO). Structural comparison and mechanism of SC-SC transformation are discussed. These Ag(I) coordination polymers show enhanced ligand-based solid-state fluorescent emissions. (C) 2014 Elsevier Inc. All rights reserved.
• Solvent-controlled assemblies, structures, and properties of two Hg(II) coordination polymers with a multidentate N-donor tecton 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole
  作者：Yu-Yan Yang、Wei Guo、Miao Du

  DOI：10.1016/j.inoche.2010.06.049

  日期：2010.10

  Coordination polymers [Hg(L-2)Cl-2](n) (1) and [Hg-2(L-2)Cl-4](DMF)}(n) (2) have been assembled from Hg(II) chloride and a novel tripyridyltriazole tecton 3,4-bis(2-pyridyl)-5-(4-pyridyl)-1,2,4-triazole (L-2) in different solvent media. Both complexes have been characterized by IR, microanalysis, powder X-ray diffraction, and thermogravimetric analysis. Single crystal X-ray diffraction indicates that the L-2 ligands take the (eta(3), mu(2)) and (eta(4), mu(3)) binding modes in 1 and 2. respectively, which connect the Hg(II) centers to afford linear and ladder-like 1D arrays. Interestingly, complex 1 exhibits strong solid state fluorescent emission at room temperature due to the intraligand transitions, whereas complex 2 is non-fluorescent. (C) 2010 Elsevier B.V. All rights reserved.
• Structural Transformations Induced by Selective and Irreversible Anion Exchanges for a Layered Ag(I) Nitrite Coordination Polymer
  作者：Cheng-Peng Li、Hang Zhou、Yu-Hai Mu、Wei Guo、Yan Yan、Miao Du

  DOI：10.1021/acs.cgd.7b00020

  日期：2017.4.5

  [Ag1/2(ONO)2(NO2)1/2]2–, BF4–, and ClO4– located in the interlayered voids. Interestingly, when the crystals of 1 were immersed in a water solution of BF4– or ClO4– anion, 2 or 3 can be irreversibly formed via anion-driven structural transformation. This process has also been investigated by means of PXRD, elemental analysis, FT-IR, and SEM-EDS, revealing a solvent-mediated mechanism. Moreover, the dynamic

  一系列Ag I配位聚合物，[Ag 2 L] [Ag 1/2（ONO）2（NO 2）1/2 ]（H 2 O）} n（1），[AgL]（BF 4） } n（2）和[Ag 2 L 2 ]（ClO 4）2 } n（3）是通过组装AgX（X – = NO 2 –，BF 4 –和ClO 4 –）与3,4-双（2-吡啶基）-5-（4-吡啶基）-1,2,4-三唑（L）。单晶X射线衍射分析表明，1 - 3示出明显的二维网络和晶格堆积，与抗衡将[Ag 1/2（ONO）2（NO 2）1/2 ] 2-，BF 4 - ，和ClO 4 –位于夹层空隙中。有趣的是，当将1的晶体浸入BF 4 –或ClO 4 –阴离子的水溶液中时，2或3可以通过阴离子驱动的结构转化不可逆地形成。还已通过PXRD，元素分析，FT-IR和SEM-EDS对这一过程进行了研究，揭示了溶剂介导的机理。此外，动态阴离子交换行为具有高度的阴离子选择性，但与阳离子无关。