[Ag(4-ethyl-5-pyridin-2-yl-2,4-dihydro-[1,2,4]triazol-3-thione-1H)]6 | 920751-57-1

• 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: [Ag(4-ethyl-5-pyridin-2-yl-2,4-dihydro-[1,2,4]triazol-3-thione-1H)]6
• 英文别名: [Ag(E124tazt)]6
• CAS: 920751-57-1
• 化学式: C₅₄H₅₄Ag₆N₂₄S₆
• 分子量: 1878.79
• InChiKey: GBCZISWRYRBXFY-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N(4)-乙基-2-吡啶甲酰胺缩氨基硫脲 、 silver nitrate 以 甲醇 、 水 为溶剂， 生成 [Ag(4-ethyl-5-pyridin-2-yl-2,4-dihydro-[1,2,4]triazol-3-thione-1H)]6
  参考文献：
  名称：

  Synthesis, characterization and DFT calculations of a novel hexanuclear silver(I) cluster-complex containing 4-ethyl-5-pyridin-2-yl-2,4-dihydro-[1,2,4]triazol-3-thione as a result from the cyclization of 2-pyridinformamide N-4-ethylthiosemicarbazone

  摘要：

  Reaction of 2-pyridine N-4 ethylthiosemicarbazone, HAm4E, with AgNO3 leads to the hexanuclear compound [Ag(E124tazt)](6) (1) (HE124tazt = 4-ethyl-5-pyridin-2-yl-2,4-dihydro-[1,2,4]triazol-3-thione), the result of an oxidative cyclization of the starting thiosemicarbazone. All Ag atoms of [Ag(E124tazt)](6) are bridged through the six S atoms of the deprotonated E124tazt ligand to form two bridged Ag3S3 rings. Each silver atom exhibits a trigonal planar coordination geometry bonded to two thiolate S atoms and one N atom from the bidentate E124tazt ligand. The Ag center dot center dot center dot Ag distances are much shorter than the van der Waals' radius sum for silver(I), suggesting binding interactions between the silver atoms, which were confirmed by means of DFT calculations. The X-ray single-crystal structural analysis reveals the arrangement of 1 as a two-dimensional (2D) network via pi-pi stacking interactions. Preliminary luminescence measurements have been carried out. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.07.028