[Zn(4-methylbenzoate)2(2,2'-bipyridine)] | 1147128-42-4

• 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(4-methylbenzoate)2(2,2'-bipyridine)]
• 英文别名: (2,2'-Bipyridine-kappa^2^N,N')bis(4-methylbenzoato-kappa^2^O,O')zinc(II)；zinc;4-methylbenzoate;2-pyridin-2-ylpyridine
• CAS: 1147128-42-4
• 化学式: C₂₆H₂₂N₂O₄Zn
• 分子量: 491.862
• InChiKey: UENHHKYZOKTQSO-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  33
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  106
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,2'-联吡啶 、 zinc perchlorate 、 对甲基苯甲酸 以 水 为溶剂， 以22%的产率得到[Zn(4-methylbenzoate)2(2,2'-bipyridine)]
  参考文献：
  名称：

  Construction of three low dimensional Zn(II) complexes based on different organic-carboxylic acids

  摘要：

  Three new Zn(II) complexes based on different organic-carboxylic acids, [Zn(mba)(2)(2,2'-bipy)] (1), [Zn(mpdaH)(2)(H2O)(4)] center dot 4H(2)O (2) and [Zn(cda)(2)(H2O)(2)](n) (3) (Hmba = 4-methylbenzoic acid, H(2)mpda = 2,6-dimethylpyridine-3,5-dicarboxylic acid and H(2)cda = chelidonic acid) have been synthesized successfully under hydrothermal conditions. X-ray single crystal diffractions show that compounds 1 and 2 are the mononuclear and 3 is one-dimensional chain, in which the Zn(II) centers have different coordination geometries with octahedron for 1 and 2 and tetrahedron for 3. Through pi-pi stacking and/or hydrogen bonding (O-H center dot center dot center dot O and O-H center dot center dot center dot N) interactions, different supramolecular structures are assembled, namely, 2D supramolecular layer for 1 and 3D supramolecular networks for 2 and 3. Furthermore, the IR, TGA and luminescent properties are also investigated in this work. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2008.07.015