[(trans-2-(2-phenylethyleneyl)pyridinium)(FeCl4)] | 876611-52-8

• 英文名称: [(trans-2-(2-phenylethyleneyl)pyridinium)(FeCl4)]
• 英文别名: [(HPepy)(FeCl4)]
• CAS: 876611-52-8
• 化学式: C₁₃H₁₂N*Cl₄Fe
• 分子量: 379.904
• InChiKey: NIGCFTHNNUJRNQ-DYBGSUCNSA-K

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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反应信息

• 作为产物：
  描述：

  iron(III) chloride hexahydrate 、 2-[(E)-2-phenylethenyl]pyridine 在 HCl 作用下， 以 甲醇 、 乙醇 为溶剂， 以39%的产率得到[(trans-2-(2-phenylethyleneyl)pyridinium)(FeCl4)]
  参考文献：
  名称：

  The new helical zigzag chain {[Ag(Pepy)(NO3)]}∞ and mononuclear [HPepy(FeCl4)] with 3D network based on hydrogen bonds as well as π–π interactions

  摘要：

  The title complexes, {[Ag(Pepy)(NO3)]}(infinity) (1) and [HPepy(FeCl4)] (2) (Pepy = trans-2-(2-phenylethyleneyl)pyridine), had been synthesized and characterized structurally by single-crystal X-ray diffraction analysis, FTIR as well as thermal analysis. The geometrical structure of complex 1 is a one-dimensional helical zigzag chain. Each Ag-1 center is five-coordinated by two NO3- anions and one Pepy ligand while the NO3- anion is ail uncommon tetra-dentate coordinating to two Ag-1 by O atoms, respectively. The NO3- anions connecting with Ag-1 as bridge blocks resulted in the formation of crystalline of helical polymeric chain. In the mononuclear complex 2, the Fe-II, center is four-coordinated by four Cl- as [FeCl4](-) anion, which connected with hydrogen atoms from the protonated N atom and the C atoms from HPepy(+) to form multivalent hydrogen bonded network through N-(HCl)-Cl-. . . and C-(HCl)-Cl-. . . interactions. The two frameworks can be both considered as a 3D structure driven by diverse hydrogen bonds as well as pi-pi stacking interactions. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2005.09.002