[Zn(3,4'-dipyridylamine)2Cl2] | 872465-07-1

• 英文名称: [Zn(3,4'-dipyridylamine)2Cl2]
• 英文别名: [Zn(dpa)2Cl2]
• CAS: 872465-07-1
• 化学式: C₂₀H₁₈Cl₂N₆Zn
• 分子量: 478.699
• InChiKey: NZWZJYAXAMNEJL-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：
  None
• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N-(pyridin-4-yl)pyridin-3-amine 、 zinc(II) chloride 以 乙醇 为溶剂， 以66%的产率得到[Zn(3,4'-dipyridylamine)2Cl2]
  参考文献：
  名称：

  Novel supramolecular structures and theoretical calculation of Ag(I) and Zn(II) complexes based on a new dipyridylamine ligand

  摘要：

  A new ligand dpa (dpa = 3,4'-dipyridylamine) (1) has been designed and synthesized, which reacted with AgNO3 and ZnCl2, respectively, resulting in two new complexes, [Ag(dpa)(2)]NO3 (2) and [ZnCl2(dpa)(2)] (3). The complexes have been characterized by thermogravimetric analysis, spectroscopic techniques, and single crystal X-ray diffraction. 2 is one-dimensional (ID) helical chain structure formed by hydrogen bonding interaction, and the helices are connected by the electrostatic interaction between Ag(I) ions and O atoms from NO3-, leading to a two-dimensional (2D) supramolecular structure. For 3, the mononuclear [ZnCl2(dpa)(2)] is almost a regular tetrahedral configuration, which generates a dimeric structure constructed through N-(HCl)-Cl-... hydrogen bonds and pi-pi interactions between pyridine rings. The adjacent dimeric units extend further into two-dimensional rippled network structure by two kinds of hydrogen bonds (N-(HCl)-Cl-..., C-(HCl)-Cl-...) in different directions. On the basis of experiment, both two complexes were calculated by DFT-B3LYP/LANL2DZ in GAUSSIAN 03. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.07.016