zinc(II) 4-aminobenzoate azide | 429650-76-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: zinc(II) 4-aminobenzoate azide
• CAS: 429650-76-0
• 化学式: C₇H₆NO₂*N₃*Zn
• 分子量: 243.54
• InChiKey: AICTXNJPWURPEY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  124.85
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  对氨基苯甲酸 、 zinc(II) nitrate hexahydrate 、 sodium azide 以 乙醇 、 水 为溶剂， 以56%的产率得到zinc(II) 4-aminobenzoate azide
  参考文献：
  名称：

  Crystal structures of two- and three-dimensional polymeric complexes assembled by metal pseudohalides and 4-aminobenzoic acid via hydrogen bonds and covalent bonds

  摘要：

  Four polymeric complexes [M(SCN)(2)(4-abaH)(2)](n) [M = Co(II) (1) or Cd(II) (2), 4-abaH = 4-aminobenzoic acid], [Zn(N-3)(4-aba)](n) (3) and [Cd(N-3)(4-aba)(H2O)](n), (4) were prepared from the reactions of 4-abaH with M(SCN)(2) [M = Co(II) or Cd(II)] and M(N-3)(2) [M = Zn(II) or Cd(II)] at different pH values. Their crystal structures have been determined by single-crystal X-ray diffraction. Both 1 and 2 consist of one-dimensional chains [M(mu-1,3-SCN)(2)(4-abaH)(2)](n), in which each pair of the lateral carboxylic groups form double hydrogen bonds to furnish infinite two-dimensional sheets. In 3, the Zn(II) atoms are bridged by mu-1,1-azide groups and mu(2)-carboxylate-O,O' groups into an infinite zigzag chain featuring six-membered (Zn-N-Zn-O-C-O-)(n) rings, which are further connected by the 4-aba-N,O,O' groups to generate a two-dimensional network. In 4, however, adjacent Cd(II) atoms are bridged by mu-1,1,3-azide groups to form an infinite chain with both four-membered Cd-2(mu-1,1-N-3)(2) and eight-membered Cd-2(mu-1,3-N-3)(2) rings. These chains are further connected by the 4-aba-N,O groups to generate a three-dimensional brickwall-like network. The results show significant effect of pH on the formation of the network structures. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00791-5