[Ni(water)(malic acid(2-))(1,10-phenanthroline)] | 851009-59-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 菲咯啉
• 英文名称: [Ni(water)(malic acid(2-))(1,10-phenanthroline)]
• CAS: 851009-59-1
• 化学式: C₄H₄O₅*C₁₂H₈N₂*H₂O*Ni
• 分子量: 388.987
• InChiKey: MYRFKIWTFRZEAQ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -1.81
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  157.77
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 nickel(II) nitrate hexahydrate 、 苹果酸 、 水 在 NaOH 作用下， 以 水 为溶剂， 以42%的产率得到[Ni(water)(malic acid(2-))(1,10-phenanthroline)]
  参考文献：
  名称：

  Synthesis and crystal structures of two nickel coordination polymers generated from asymmetric malate ligand

  摘要：

  Two nickel coordination polymers [Ni(H2O)(C4H4O5)] center dot H2O 1 and [Ni(H2O)(mal)(phen)] 2, have been hydrothermally synthesized and structurally characterized by single crystal X-ray diffraction. Crystal data for 1: C4H8O7Ni, monoclinic Cc, a = 13.156(3) angstrom, b = 7.5436(15) angstrom, c = 9.6982(19) angstrom, beta = 130.96(3)degrees, Z = 4. Crystal data for 2: C16H14N2O6Ni, orthorhombic Pna2(1), a = 9.6113(19) angstrom, b = 19.691(4) angstrom, c = 8.0944(16) angstrom, Z = 4. Compound I is constructed from [Ni(H2O)(C4H4O5)] sheets pillared through beta-carboxylate groups into a 3D framework, which exhibits a diamond-like network. Compound 2 exhibits a 3D supramolecular network. To our knowledge, compound 1 represents the first diamond-like topology in the system of metal malate. Other characterizations by elemental analysis, IR and TG are also described. The magnetic behavior of compound 1 has been studied. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2004.12.042