catena-poly-[Cu(acetonitrile)(2,2'-dimethyl-4,4'-bipyrimidine-N,N',N'')][PF6] | 168003-94-9

• 英文名称: catena-poly-[Cu(acetonitrile)(2,2'-dimethyl-4,4'-bipyrimidine-N,N',N'')][PF6]
• CAS: 168003-94-9
• 化学式: C₂H₃N*C₁₀H₁₀N₄*Cu*F₆P
• 分子量: 435.779
• InChiKey: WUIOERYQLYXBAF-UHFFFAOYSA-N

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：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 2,2′-dimethyl-4,4′-bipyrimidine 以 乙腈 为溶剂， 生成 catena-poly-[Cu(acetonitrile)(2,2'-dimethyl-4,4'-bipyrimidine-N,N',N'')][PF6]
  参考文献：
  名称：

  Metallic Complexation by Inner and Outer Nitrogens of Bis(diazine) Heterocycles: The Cases of 4,4'-Bipyrimidine and 2,2'-Bipyrazine

  摘要：

  The synthesis of [Cu(6,6'-dimethyl-2,2'-bipyrazine)(2)][BF4] (4), [Cu(2,2'-dimethyl-6,6'-diphenyl-4,4'-bipyrimidine)(2)]-[PF6] (3), and catena-poly-[(2,2'-dimethyl-4,4'-bipyrimidine-N,N',N')bis(acetonitrile)dicopper(I)] (5) was realized from the corresponding free heterocyclic ligands. X-ray structures of the two last products were determined, and their structural data are as follows. 3: chemical formula (CuN8C44H36PF6; lattice constants with esd's (a-c, Angstrom; alpha-gamma, deg) 12.089(1), 16.229(7), 21.196(3), 90, 98.46(1), 90; crystal system monoclinic; space group P2(1)/n; Z = 4. 4: chemical formula CuN8C20H20BF4. 5: chemical formula CuN5C12H13PF6; lattice constants with esd's (a-c, A; alpha-gamma, deg) 12.900(3), 8.773(3), 14.702(4); 90, 101.99(2), 90; crystal system monoclinic; space group P2(1)/n; Z = 4. The proton NMR and crystallographic results of the unsubstituted 4,4'-bipyrimidine show that both inner and outer nitrogens are involved in the coordination metal center process, giving a structure of an infinite-chain copper(I) polymer.

  DOI：

  10.1021/ic00125a019