aqua(diallylformamide)copper(I) tetrafluoroborate | 364604-25-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: aqua(diallylformamide)copper(I) tetrafluoroborate
• 英文别名: N,N-bis(prop-2-enyl)formamide;copper(1+);tetrafluoroborate;hydrate
• CAS: 364604-25-1
• 化学式: BF₄*C₇H₁₃CuNO₂
• 分子量: 293.536
• InChiKey: DTOOUPRAYYVBBS-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：

  copper(II) tetrafluroborate hexahydrate 、 二烯丙基甲酰胺 以 further solvent(s) 为溶剂， 生成 aqua(diallylformamide)copper(I) tetrafluoroborate
  参考文献：
  名称：

  摘要：

  Crystals of [Cu(DAF)(H2O)]BF4 (I) and [Cu(DAF)(ClO4)] (II) (DAF is diallyl formamide) were synthesized by an alternate-current electrochemical method, and their structures were determined (MoKalpha radiation, 1247 and 859 independent reflections with I greater than or equal to 2 sigma (I), R = 0.043 and 0.032 for I and II, respectively). The complexes crystallize in space croup P2(1)/n, Z = 4. For I, a = 10.782(3) Angstrom, b = 12.096(5) Angstrom, c = 9.185(3) Angstrom, gamma = 103.62(3)degrees, and V= 1164.2(7) Angstrom (3); for II, a = 10.064(3) Angstrom, b = 10.753(6) Angstrom, c = 10.002(3) Angstrom, gamma = 87.52(4)degrees, and V = 1081.4(8) Angstrom (3). The copper atom in structures I and II coordinates both C=C bonds in one DAF molecule and oxygen atom of the amide group of another DAF molecule, as well as an oxygen atom of H2O (in I) or ClO4 (in II) in the axial position. The uncommon behavior of the anions in structures I and II is explained by their different values of Pierson hardness.

  DOI：

  10.1023/a:1011345817559