[Ag(PPIA)*H2O] | 915137-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Ag(PPIA)*H2O]
• 英文别名: [Ag(3-pyridinepropionic acid-H)*H2O]
• CAS: 915137-91-6
• 化学式: Ag*C₈H₈NO₂*H₂O
• 分子量: 276.04
• InChiKey: FEYGMJJZKMZCSS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.06
• 重原子数：
  13.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  84.52
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  3-(3-吡啶基)丙酸 、 silver nitrate 以 甲醇 为溶剂， 以76.1%的产率得到[Ag(PPIA)*H2O]
  参考文献：
  名称：

  Syntheses and structural characterization of three new coordination polymers of [Ag(PPIA)·H2O]n, [Cu(PPIA)2·2H2O]n and [Zn(PPIA)2(H2O)2]n; PPIA=3-pyridinepropionic acid

  摘要：

  The syntheses and crystal structures of three new coordination polymers of the type [Ag(PPIA) center dot H2O](n) (PPIA = 3-pyridinepropionic acid) (1), [Cu(PPIA)(2) center dot 2H(2)O](n) (2), and [Zn(PPIA)(2)(H2O)(2)](n) (3), are reported. The reactions of 3-pyridinepropionic acid with AgNO3, Cu(NO3)(2) center dot 6H(2)O and Zn(NO3)(2) center dot 6H(2)O in MeOH afforded complexes 1-3, respectively. Single-crystal X-ray crystallography structure determinations show that complexes 1, 2 and 3 crystallize in the space groups P (1) over bar, Pbea and P2(1)/n, respectively. The Ag(I) centers in 1 adopt a slightly distorted T-shaped geometry, while the Cu(II) centers in 2 exhibit a distorted square planer coordination geometry and the Zn(II) centers in 3 adopt a distorted octahedral coordination geometry. The metal centers in 1-3 coordinate to both the pyridyl and carboxylate groups to form one-dimensional polymeric chains and two-dimensional framework structures, respectively. Interestingly, the one-dimensional chain complex of 1 or the two-dimensional frameworks of 2 and 3 are also linked to form three-dimensional networks through hydrogen bonds. (C) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2006.04.029