| 175480-81-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• CAS: 175480-81-6
• 化学式: C₂₈H₂₄CuN₈O₄*ClO₄
• 分子量: 699.546
• InChiKey: RAOWSPJTDGUKHK-UHFFFAOYSA-M

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) perchlorate hexahydrate 、 铜 、 3-氰基-6-甲基-2(1H)-吡啶酮 以 丙酮 为溶剂， 生成
  参考文献：
  名称：

  Construction of Three-Dimensional Supramolecular Coordination Copper(I) Compounds with Channel Structures Hosting a Variety of Anions by Changing the Hydrogen-Bonding Mode and Distances

  摘要：

  This paper describes four novel hydrogen-bonded copper(I) supramolecules with channel structures. The reactions of copper(I) salt with 3-cyano-6-methyl-2(1H)-pyridinone (Hcmp) in acetone have isolated four polymeric coordination products [Cu(Hcmp)(4)]X, where X = ClO4- (1), BF4- (2), PF6- (3), and CF3SO3- (4). All four compounds crystallized in the tetragonal system. Each structure contains a three-dimensional framework of tetrahedral CuN4 centers linked by intermolecular hydrogen bonds through pyridone N and O atoms in a head-to-tail mode. The very special structural features of the four compounds are related to the two types of hydrogen-bonding. Complexes 1 and 2 with smaller counteranions involve each Hcmp group hydrogen-bonded to two adjacent others (type A), which generates an open square channel filled with aligned ClO4- or BF4- ions, whereas 3 and 4 involve 1:1 pairwise hydrogen-bonding of Hcmp (type B) which results in four independent interpenetrating diamond-like frameworks with big cavities to accommodate larger anions of PF6- and CF3SO3-. Novel insight into the unique role played by the hydrogen-bonding mode and distances on the architecture of the network is discussed. The study indicates that the metal complex supramolecular structures can be rationally designed via hydrogen-bonding interactions.

  DOI：

  10.1021/ja953424f