sodium 1,2,4-triazole-1-acetate | 583858-39-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: sodium 1,2,4-triazole-1-acetate
• 英文别名: sodium 2-(1H-1,2,4-triazol-1-yl)acetate；sodium;2-(1,2,4-triazol-1-yl)acetate
• CAS: 583858-39-3
• 化学式: C₄H₄N₃O₂*Na
• 分子量: 149.084
• InChiKey: IZYZVGMQWYKDBW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -4.97
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  70.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  manganese(II) chloride tetrahydrate 、 sodium 1,2,4-triazole-1-acetate 以 甲醇 为溶剂， 反应 48.0h， 生成 [Mn(1,2,4-triazole-1-acetate)Cl]n
  参考文献：
  名称：

  Dzyaloshinski–Moriya (D–M) oriented weak ferromagnets in isomorphic coordination architectures constructed by flexible 1,2,4-triazole-1-acetate ligands with the assistance of halogen or pseudohalogen anions

  摘要：

  Three isomorphic coordination complexes constructed by flexible 1,2,4-triazole-1-acetate with the assistance of halogen or pseudohalogen anions, and [Mn(L)Cl](n) (1), [Co(L)(N-3)](n) (2) and [Ni(L)(N-3)](n) (3) (L = 1,2,4-triazole-1-acetate) have been synthesized and structurally characterized. It is interesting that the linkages of the halogen anions in 1 are the same as those of the pseudohalogen anions in 2 and 3. Single crystal structure analysis indicated a novel 4,6-connected binodal net with Schlafli {3;4(2);5(3)}{3(2);4(3);5(5);6(3);7(2)) was formed in these complexes. Dominating antiferromagnetic interactions between the metal ions were detected in these complexes, furthermore evident spin canting presented in I and 3 for Dzyaloshinski-Moriya (D-M) interactions. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.inoche.2013.06.038