4-[(Pyridine-2-carbonylhydrazinylidene)methyl]benzoic acid | 315202-18-7

• 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: 4-[(Pyridine-2-carbonylhydrazinylidene)methyl]benzoic acid
• CAS: 315202-18-7
• 化学式: C₁₄H₁₁N₃O₃
• mdl: MFCD00629731
• 分子量: 269.26
• InChiKey: IOMYHKFNARIVEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-吡啶甲酰肼 、 对醛基苯甲酸 以 甲醇 为溶剂， 反应 4.0h， 生成 4-[(Pyridine-2-carbonylhydrazinylidene)methyl]benzoic acid
  参考文献：
  名称：

  Synthesis, crystal structure, and spectroscopic properties of a new Zn(II) coordination polymer with 4-(2-picolinylhydrazide) methylene benzoic acid containing the (H₂O)₈(CH₃OH)₂ cluster

  摘要：

  A zinc coordination polymer, {[ZnL(H2O)(2)]center dot 2(H2O)(CH3OH)}(n) (1) (H2L = 4-(2-picolinylhydrazide) methylene benzoic acid), consisting of a trapeziform chain was synthesized and characterized by elemental analysis, UV, IR, and single-crystal X-ray diffraction. Single-crystal structure of this compound reveals that the coordination geometry of zinc is a slightly distorted trigonal bipyramid and the trapeziform chains are further assembled into a 3-D network via hydrogen-bonding and pi-pi interactions. A water-methanol cluster, (H2O)(8)(CH3OH)(2), is observed in this complex. The electronic absorption spectrum was attributed to intra-ligand electronic transitions. The spectrum of 1 indicates strong fluorescence at lambda(ex) = 282nm in the fluorescence spectrum at room temperature; the fluorescence gradually quenches with rising temperature. With increasing scan rate, the reversible redox process of Zn2+/Zn+ changes into a quasi-reversible one.

  DOI：

  10.1080/00958972.2012.690866

文献信息

• Synthesis, crystal structure, and spectroscopic properties of a new Zn(II) coordination polymer with 4-(2-picolinylhydrazide) methylene benzoic acid containing the (H₂O)₈(CH₃OH)₂ cluster
  作者：Shi-Liang Chen、Zheng Liu、Jin-Hong Xia、Yan-Hong Li

  DOI：10.1080/00958972.2012.690866

  日期：2012.7.10

  A zinc coordination polymer, [ZnL(H2O)(2)]center dot 2(H2O)(CH3OH)}(n) (1) (H2L = 4-(2-picolinylhydrazide) methylene benzoic acid), consisting of a trapeziform chain was synthesized and characterized by elemental analysis, UV, IR, and single-crystal X-ray diffraction. Single-crystal structure of this compound reveals that the coordination geometry of zinc is a slightly distorted trigonal bipyramid and the trapeziform chains are further assembled into a 3-D network via hydrogen-bonding and pi-pi interactions. A water-methanol cluster, (H2O)(8)(CH3OH)(2), is observed in this complex. The electronic absorption spectrum was attributed to intra-ligand electronic transitions. The spectrum of 1 indicates strong fluorescence at lambda(ex) = 282nm in the fluorescence spectrum at room temperature; the fluorescence gradually quenches with rising temperature. With increasing scan rate, the reversible redox process of Zn2+/Zn+ changes into a quasi-reversible one.