3-amino-1,2,4-triazolate-iodocobalt(II) | 1165888-65-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-amino-1,2,4-triazolate-iodocobalt(II)
• 英文别名: Co(atrz)I
• CAS: 1165888-65-2
• 化学式: C₂H₃N₄*Co*I
• 分子量: 268.97
• InChiKey: MRRXBVOHXFWVCL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.98
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  65.9
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-氨基-1,2,4-三氮唑 、 cobalt(II) nitrate hexahydrate 、 potassium iodide 以 水 为溶剂， 以25%的产率得到3-amino-1,2,4-triazolate-iodocobalt(II)
  参考文献：
  名称：

  Synthesis and structural determination of three metal-organic frameworks in a Co-3-amino-1,2,4-triazole system

  摘要：

  The hydrothermal reactions of cobalt(II) salts with 3-amine-1H-1,2,4-triazole (Hatrz) result in two kinds of coordination polymers, namely, 2D isoreticular layers based on a binuclear unit Co(atrz)Br (1) and Co(atrz)I (2), and 3D alternating layer architecture of Co-5(atrz)(7)(N-3)(3) (3), which were structurally characterized by single-crystal X-ray diffraction techniques. Thermostabilities of all compounds were examined by thermogravimetric analysis. Isostructural compounds 1 and 2 display a two-dimensional layer structure where Co centers are linked by mu(1,2,4)-atrz anions to form isoreticular layers containing sixteen-membered rings. Compound 3 is a 3D alternating layer architecture, which are based on parallel 1D chains and bimetal unit [N3Co-(mu(1,4)-atrz)-CoN3]. The thermogravimetric analysis results of compounds 3 show that tremendous heat is released from its thermal decomposition, which indicates that the compound qualifies as a high-energy candidate. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2009.01.042