[Zn(succinic acid(-H))(1,2,4-trizole(-H))] | 1312713-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: [Zn(succinic acid(-H))(1,2,4-trizole(-H))]
• 英文别名: [Zn(Hsuc)(trz)]
• CAS: 1312713-85-1
• 化学式: C₂H₂N₃*C₄H₅O₄*Zn
• 分子量: 250.529
• InChiKey: RXINXCFPUUINHN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.97
• 重原子数：
  14.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  117.31
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  [Zn(succinic acid(-H))(1,2,4-trizole(-H))] 以 neat (no solvent, solid phase) 为溶剂， 生成 zinc(II) oxide
  参考文献：
  名称：

  Synthesis and characterization of two new triazolate–aliphatic dicarboxylate bridged Zn(II) coordination polymers based on 2D layer motifs with different crystal packing

  摘要：

  Two new zinc(II)-triazole-aliphatic dicarboxylate coordination polymers, [Zn(trz)(Hsuc)](n) (1), [Zn-2(trz)(2)(tar)](n) (2), have been hydrothermally synthesized by reaction of Zn salt, Htrz with H(2)suc and H(2)tar, respectively (Htrz = 1,2,4-triazole, H(2)suc = succinic acid, H(2)tar = tartaric acid).Their structures were determined by single-crystal X-ray diffraction analyses and further characterized by X-ray powder diffraction, elemental analyses, IR spectra and TG analyses. Compound 1 displays a 2D layer structure containing {[Zn-4(trz)(4)](4+)}(n) layers decorated by the suc ligand. Compound 2 is in a 3D structure formed by the interconnection of 2D {[Zn-4(trz)(4)](4+)}(n) layers with tar ligand, resulting a 3,4-connected topological network. Due to the different coordination mode and conformation of aliphatic carboxylate ligand, the similar 2D {[Zn-4(trz)(4)](4+)}(n) layers stack in the -AAA- fashion in 1, while the {[Zn-4(trz)(4)](4+)}(n) layers hold together in the -ABAB- stacking sequence in 2. Additionally, the two compounds show strong fluorescence in the solid state at room temperature. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.03.053
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 zinc(II) nitrate hexahydrate 、 丁二酸 在 NaOH 作用下， 以 水 为溶剂， 以39%的产率得到[Zn(succinic acid(-H))(1,2,4-trizole(-H))]
  参考文献：
  名称：

  Synthesis and characterization of two new triazolate–aliphatic dicarboxylate bridged Zn(II) coordination polymers based on 2D layer motifs with different crystal packing

  摘要：

  Two new zinc(II)-triazole-aliphatic dicarboxylate coordination polymers, [Zn(trz)(Hsuc)](n) (1), [Zn-2(trz)(2)(tar)](n) (2), have been hydrothermally synthesized by reaction of Zn salt, Htrz with H(2)suc and H(2)tar, respectively (Htrz = 1,2,4-triazole, H(2)suc = succinic acid, H(2)tar = tartaric acid).Their structures were determined by single-crystal X-ray diffraction analyses and further characterized by X-ray powder diffraction, elemental analyses, IR spectra and TG analyses. Compound 1 displays a 2D layer structure containing {[Zn-4(trz)(4)](4+)}(n) layers decorated by the suc ligand. Compound 2 is in a 3D structure formed by the interconnection of 2D {[Zn-4(trz)(4)](4+)}(n) layers with tar ligand, resulting a 3,4-connected topological network. Due to the different coordination mode and conformation of aliphatic carboxylate ligand, the similar 2D {[Zn-4(trz)(4)](4+)}(n) layers stack in the -AAA- fashion in 1, while the {[Zn-4(trz)(4)](4+)}(n) layers hold together in the -ABAB- stacking sequence in 2. Additionally, the two compounds show strong fluorescence in the solid state at room temperature. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.03.053