[Zn(pyridine-2,6-dicarboxylic acid(-2H))(3,5-dimethylpyrazole)2] | 1271742-28-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [Zn(pyridine-2,6-dicarboxylic acid(-2H))(3,5-dimethylpyrazole)2]
• 英文别名: [Zn(2,6-PDC)(Hdmpz)2]
• CAS: 1271742-28-9
• 化学式: C₁₇H₁₉N₅O₄Zn
• 分子量: 422.759
• InChiKey: QOHGDOVPLNIWRE-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3,5-二甲基吡唑 、 吡啶-2,6-二甲酸 、 zinc(II) acetate dihydrate 以 甲醇 为溶剂， 以85.16%的产率得到[Zn(pyridine-2,6-dicarboxylic acid(-2H))(3,5-dimethylpyrazole)2]
  参考文献：
  名称：

  Synthesis, structure and photophysical properties of two transitional metal supramolecular complexes

  摘要：

  Two supramolecular complexes: [Co(2,6-PDC)(Hdmpz)(3)]center dot H2O (1) and [Zn(2,6-PDC)(Hdmpz)(2)] (2) {2,6-PDC = pyridine-2,6-dicarboxylic acid, Hdmpz = 3,5-dimethylpyrazol}, self-assembles via O-H center dot center dot center dot O and N-H center dot center dot center dot O hydrogen bondings into supramolecular networks, which are characterized by elemental analyses. IR spectra and single crystal X-ray diffraction analysis. Both of them consist of two-dimensional networks that are stacked together by typical hydrogen bonding interactions (i.e. O-H center dot center dot center dot O and N-H center dot center dot center dot O). which often play important roles in the formation of low-dimensional into high-dimensional supramolecular networks. In addition, quantum chemistry calculations and surface photovoltage spectroscopy are performed firstly with the complexes. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.12.016