N,N'-diallylpiperazinium hexafluorosilicate | 917891-75-9

• 英文名称: N,N'-diallylpiperazinium hexafluorosilicate
• 英文别名: [(H(1+))2Dapp]SiF6
• CAS: 917891-75-9
• 化学式: C₁₀H₂₀N₂*F₆Si
• 分子量: 310.358
• InChiKey: KRTDPAGWGGZUDI-UHFFFAOYSA-P

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

• 作为反应物：
  描述：

  水 、 copper(II) tetrafluroborate hexahydrate 、 六氟合硅酸 、 铜 、 N,N'-diallylpiperazinium hexafluorosilicate 以 乙醇 为溶剂， 生成 [(Cu(I))2(hexaaqua)(μ-N,N'-diallylpiperazinium) π-complex](hexafluorosilicate)2*monohydrate
  参考文献：
  名称：

  Cu(I) hexafluorosilicate π-complex with N,N′-diallylpiperazinium, [Cu(H2O)2.5{μ-C4H8N2H2(C3H5)2}0.5]SiF6·H2O: Synthesis and crystal structure

  摘要：

  This paper reports the ac electrochemical synthesis of the crystals of Cu(I) hexafluorosilicate pi-complex with N,N'-diallylpiperazinium of the composition [Cu(H2O)(2.5){mu-C4H8N2H2(C3H5)(2))(0.5)]SiF6 center dot H2O, i.e., the pi-complex of Cu(I) synthesized for the first time, where the Cu(I) atom simultaneously coordinates three H2O molecules. The crystals are monoclinic: space group P2(1)/a, a = 13.470(6) angstrom, b = 10.025(6) angstrom, c = 9.864(5) angstrom, gamma = 112.19(4)degrees, V = 1233(2) angstrom(3), Z = 4, R = 0.0555 for 1252 independent reflections, R-w = 0.0634 for 1145 reflections with F >= 4 sigma(F). The structure consists of the {(H2O)(2.5)Cu(C4H8N2H2(C3H5)(2))Cu(H2O)(2.5)} dimers and the SiF6 anions bonded through hydrogen contacts O-H center dot center dot center dot F and C-H center dot center dot center dot F.

  DOI：

  10.1134/s1070328406040075