[Cu(5-amino-1H-tetrazole(1-))(isonicotinic acid(1-))]n | 1542222-78-5

• 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: [Cu(5-amino-1H-tetrazole(1-))(isonicotinic acid(1-))]n
• CAS: 1542222-78-5
• 化学式: CH₂N₅*C₆H₄NO₂*Cu
• 分子量: 269.71
• InChiKey: YJZXRMYAWHUOFA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.15
• 重原子数：
  16.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131.81
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  5-氨基四氮唑 、 异烟酸 、 copper(ll) sulfate pentahydrate 在 硫酸镉盐(1:1)单水合物 、 二聚氰胺 作用下， 以 水 为溶剂， 反应 72.0h， 以58%的产率得到[Cu(5-amino-1H-tetrazole(1-))(isonicotinic acid(1-))]n
  参考文献：
  名称：

  Synthesis, structural and magnetic investigation of copper(II) coordination polymer based on 5-amino-tetrazolate and isonicotinate mixed ligands

  摘要：

  A new three-dimensional(3D) coordination polymer, [Cu(atz)(isonic)](n) (1) was synthesized hydrothermally from mixed-ligands of Hatz (Hatz = 5-amino-1H-tetrazole) and Hisonic (Hisonic = isonicotinic acid) and corresponding Cu-II salt. It was characterized by IR spectra, elemental and thermal analysis, structurally and magnetically characterized. In this compound, Cu-II ions are linked by mu(3)-atz bridges to give [{Cu-2(mu(3)-atz)(2)}](2+) cationic layer. The cationic layers are further pillared by isonic ligand and resulted in 3D frameworks with unprecedented topological network. The variable temperature magnetic investigations indicate that compound 1 exhibits typical antiferromagnetic behaviors. (C) 2013 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.10.034