[Zn(isonicotinic acid(-1H))(nicotinic acid(-1H))] | 930579-05-8

• 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: [Zn(isonicotinic acid(-1H))(nicotinic acid(-1H))]
• 英文别名: [Zn(nicotinate)(isonicotinate)]n；[Zn(nic)(isonic)]n
• CAS: 930579-05-8
• 化学式: C₆H₄NO₂*C₆H₄NO₂*Zn
• 分子量: 309.597
• InChiKey: LPKOFFNLHBYQQZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.11
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106.04
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  烟酸 、 异烟酸 、 zinc(II) chloride 以 水 为溶剂， 以16.15%的产率得到[Zn(isonicotinic acid(-1H))(nicotinic acid(-1H))]
  参考文献：
  名称：

  Twofold parallely interpenetrated 2D polymers of d10 zinc and cadmium based on mixed nicotinate/isonicotinate ligands

  摘要：

  Two d(10) complexes, [Zn(IN)(Nta)](n) (1) and [Cd(IN)(Nta)](n) (2) (H-IN = isonicotinic acid, H-Nta = nicotinic acid), have been hydrothermally synthesized and characterized. X-ray diffraction analysis results reveal their structures are isostructural. Both of them consist of two-dimensional (2D) twofold parallely interpenetrated polymers and exhibit the same blue fluorescent emission at 434 nm (for 1, lambda(ex) = 326 nm; for 2, lambda(ex) = 322 nm). (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.05.024

文献信息

• Synthesis, crystal structure and luminescence of novel two-dimensional interpenetrating frameworks
  作者：Feng Li、Yanlong Wang、Guosong Li、Yaguang Sun、Xiaofu Gu、Enjun Gao

  DOI：10.1016/j.inoche.2007.03.019

  日期：2007.7

  Two novel metal coordination polymers, [Zn(nic)(isonic)](n) (1) and [Cu(nic)(isonic)](n) (2) (H(2)nic = nicotinic acid, H(2)isonic = isonicotinic acid), have been hydrothermally synthesized and characterized by elemental analysis, IR, and single crystal X-ray diffraction. X-ray single-crystal structural analyses reveal that 1 and 2 are isomorphous, two-dimensional interpenetrating (4, 4) frameworks bridged by nic and isonic ligands, and further assembled into a three-dimensional supramolecular structure via pi-pi stacking interaction. Moreover, 1 displayed photoluminescent properties in the blue range at room temperature. (c) 2007 Elsevier B.V. All rights reserved.