catena-poly[[[(iminodiacetato-κO)silver(I)]-μ3-2-aminopyrimidine-κ3N1:N2:N3] monohydrate] | 1206793-90-9

• 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: catena-poly[[[(iminodiacetato-κO)silver(I)]-μ3-2-aminopyrimidine-κ3N1:N2:N3] monohydrate]
• CAS: 1206793-90-9
• 化学式: Ag*C₄H₅N₃*C₄H₆NO₄*H₂O
• 分子量: 353.083
• InChiKey: AJBBEGRKFRTNKA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -5.72
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  180.17
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 水 、 silver nitrate 、 亚氨基二乙酸 以 甲醇 、 水 为溶剂， 生成 catena-poly[[[(iminodiacetato-κO)silver(I)]-μ3-2-aminopyrimidine-κ3N1:N2:N3] monohydrate]
  参考文献：
  名称：

  catena-Poly[[[(iminodiacetato-κO)silver(I)]-μ₃-2-aminopyrimidine-κ³N¹:N²:N³] monohydrate]: a one-dimensional silver(I) coordination polymer with mixed ligands

  摘要：

  The title compound, {[Ag(C4H6NO4)(C4H5N3)]center dot H2O}(n), was synthesized by the reaction of silver(I) nitrate with 2-aminopyrimidine and iminodiacetic acid. X-ray analysis reveals that the crystal structure contains a one-dimensional ladder-like Ag I coordination polymer and that N-H center dot center dot center dot O and O-H center dot center dot center dot O hydrogen bonding results in a three-dimensional network. The Ag I centre is four-coordinated by three N atoms from three different 2-aminopyrimidine ligands and one O atom from one iminodiacetate ligand. Comparison of the structural features with previous findings suggests that the existence of a second ligand plays an important role in the construction of such polymer frameworks.

  DOI：

  10.1107/s010827010902695x