[Ni(malonic acid-2H)2(H2O)2](1,5-diazacyclooctane+2H) | 936644-68-7

• 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: [Ni(malonic acid-2H)2(H2O)2](1,5-diazacyclooctane+2H)
• 英文别名: [Ni(mal)2(H2O)2](H2DACO)
• CAS: 936644-68-7
• 化学式: C₆H₈NiO₁₀*C₆H₁₆N₂
• 分子量: 415.02
• InChiKey: IUDJSURRXNSWOL-UHFFFAOYSA-L

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：

  nickel(II) chloride hexahydrate 、 丙二酸 、 水 、 1,5-diazacyclooctane dihydrobromide 在 NaOH 作用下， 以 水 为溶剂， 以60%的产率得到[Ni(malonic acid-2H)2(H2O)2](1,5-diazacyclooctane+2H)
  参考文献：
  名称：

  Robust anionic building blocks [M(malonate)2(H2O)2]2− for crystal engineering of inorganic–organic hybrid materials

  摘要：

  One-pot reactions of transition metal (Cu-II, Ni-II, Co-II, or Cd-II) salt with malonic acid (H(2)mal) in the presence of mesocyclic diamine generate three supramolecular complexes and a coordination polymer. [Cu(mal)(2)(H2O)(2)](H2O)(2)(H(2)DACH) (1) and [M(mal)(2)(H2O)(2)](H(2)DACO) (M = Ni for 2, and Co for 3) are ion-pair products and managed by charge-assistant noncovalent interactions (DACO = 1,5-diazacyclooctane, and DACH = 1,4-diazacycloheptane). In these structures, the similar mononuclear [M(mal)(2)(H2O)(2)](2-) building blocks are connected by hydrogen bonds to form 2D networks (with the aid of one lattice water in the case of 1), which are further extended by the cationic diamine components to yield 3D pillar-layered solids. While [Cd(mal)(H2O)(2)](n) (4) is a neutral polymeric complex, in which the similar [Cd(mal)(2)(H2O)(2)](2-) subunits are propagated by additional Cd 0 coordinative forces to result in the final 2D layer. (C) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.10.002