[Ni(acetate)(3,5-lutidine)2(H2O)2] | 1195985-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Ni(acetate)(3,5-lutidine)2(H2O)2]
• CAS: 1195985-29-5
• 化学式: C₁₈H₂₈N₂NiO₆
• 分子量: 427.12
• InChiKey: RFFBKACXZCMRSY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  3,5-二甲基吡啶 、 水 、 nickel(II) acetate tetrahydrate 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 以30%的产率得到[Ni(acetate)(3,5-lutidine)2(H2O)2]
  参考文献：
  名称：

  Nickel diacetate complex with lutidine: Synthesis, crystal, and molecular structures

  摘要：

  The [Ni(CH3CO2)(2)(3,5-lutidine)(2)(H2O)(2)] complex (3,5-lutidine-C7H9N) was synthesized and its structure was determined. The crystals are trigonal: space group R (3) over bar, a = 24.693(3), c = 9.436(2) angstrom, V = 4983(1) angstrom(3), rho(calcd.) = 1.281 g/cm(3), Z = 9. The structure consists of individual octahedral molecular complexes [Ni(NC7H9)(2)(CH3COO)(2)(H2O)(2)]. Each Ni2+ ion (in the inversion center) coordinates two crystallographically equivalent lutidine ligands (Ni-N(1)2.093(2) angstrom), water molecules (Ni-O(1)2.103(1) angstrom), and acetates (Ni-O(2)2.048(1) angstrom) forming slightly distorted octahedron. The complexes interact through the O-H center dot center dot center dot O hydrogen bonds with water molecules as the proton donors and noncoordinated acetate O(3) atoms as the acceptors. The obtained supramolecular framework contains large voids around axes (3) over bar.

  DOI：

  10.1134/s1070328408120051