1,5-二氨基四唑 | 930579-93-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 中文名称: 1,5-二氨基四唑
• 英文名称: 1,5-diaminotetrazole
• 英文别名: 1H-1,2,3-Triazole-4,5-diamine；2H-triazole-4,5-diamine
• CAS: 930579-93-4
• 化学式: C₂H₅N₅
• 分子量: 99.0952
• InChiKey: DQSBZDLZCZUJCJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  93.6
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  cadmium(II) acetate dihydrate 、 1,5-二氨基四唑 、 sodium azide 以 水 为溶剂， 以65%的产率得到[Cd(II)(1,5-diaminotetrazole)2(azido)2]n
  参考文献：
  名称：

  Synthesis, structural characterization and thermal analysis of a high nitrogen-contented cadmium (II) coordination polymer based on 1,5-diaminotetrazole

  摘要：

  A high nitrogen-contented cadmium (II) coordination polymer [Cd(DAT)(2)(N(3))(2)](n) (DAT = 1,5-diaminotetrazole) has been synthesized and characterized by elemental analysis and FT-IR spectrum. The crystal structure was determined by using single crystal X-ray diffraction analysis with monoclinic cell: P2(1)/n space group. Each Cd(II) cation is coordinated by two trans 1,5-diaminotetrazole ligands and four trans mu-1,3 azido bridged ligands to form an octahedral configuration. The molecule structure is novel in that two zigzag chains linked by azido ligands which are vertical to each other and thus 20 layer networks are formed. The weak hydrogen-bonds between different layers assemble the complex to 3D supramolecular structure. Under nitrogen atmosphere with a heating rate of 10 degrees C/min, the DSC plot of the complex shows one endothermic process and three successive exothermic processes from 50 degrees C to 600 degrees C, and the final decomposed residue at 600 degrees C is Cd and few condensed products. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.06.038

文献信息

• Synthesis, structural characterization and thermal analysis of a high nitrogen-contented cadmium (II) coordination polymer based on 1,5-diaminotetrazole
  作者：Zhan Tang、Jian-Guo Zhang、Zhen-Hua Liu、Tong-Lai Zhang、Li Yang、Xiao-Jing Qiao

  DOI：10.1016/j.molstruc.2011.06.038

  日期：2011.10

  A high nitrogen-contented cadmium (II) coordination polymer [Cd(DAT)(2)(N(3))(2)](n) (DAT = 1,5-diaminotetrazole) has been synthesized and characterized by elemental analysis and FT-IR spectrum. The crystal structure was determined by using single crystal X-ray diffraction analysis with monoclinic cell: P2(1)/n space group. Each Cd(II) cation is coordinated by two trans 1,5-diaminotetrazole ligands and four trans mu-1,3 azido bridged ligands to form an octahedral configuration. The molecule structure is novel in that two zigzag chains linked by azido ligands which are vertical to each other and thus 20 layer networks are formed. The weak hydrogen-bonds between different layers assemble the complex to 3D supramolecular structure. Under nitrogen atmosphere with a heating rate of 10 degrees C/min, the DSC plot of the complex shows one endothermic process and three successive exothermic processes from 50 degrees C to 600 degrees C, and the final decomposed residue at 600 degrees C is Cd and few condensed products. (C) 2011 Elsevier B.V. All rights reserved.