[Fe(α-benzyl dioxymate)2(pyridine)2]*dimethylformamide | 1297365-58-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [Fe(α-benzyl dioxymate)2(pyridine)2]*dimethylformamide
• 英文别名: [Fe(DfgH)2Py2]*DMF
• CAS: 1297365-58-2
• 化学式: C₃H₇NO*C₃₈H₃₂FeN₆O₄
• 分子量: 765.652
• InChiKey: BOWSFVIDHJOWNB-IRDFCUOPSA-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：

  吡啶 、 iron(II) chloride tetrahydrate 、 二联苯乙二醛肟 、 N,N-二甲基甲酰胺 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以83%的产率得到[Fe(α-benzyl dioxymate)2(pyridine)2]*dimethylformamide
  参考文献：
  名称：

  Specific features of the structures of iron(II) α-benzyl dioxymate solvates with pyridine

  摘要：

  Coordination compounds [Fe(DfgH)(2)Py(2)] (I) and [Fe(DfgH)(2)Py(2)] center dot A, where DfgH is the alpha-benzyldioxime monoanion and A = Py (II), DMF (III), and methyl ethyl ketone (IV), have been synthesized and studied by X-ray diffraction analysis. Diamagnetism and the gamma-resonance (GR) spectral parameters confirm that iron exists in the oxidation state +2 in the low-spin state. The octahedral trans configuration of the iron polyhedra is a common feature of all complexes. The equatorial plane of the octahedron contains two intramolecular hydrogen bonds O-H...O between two organic anions DfgH(-) affording a pseudomacrocycle. The axial coordinate of the octahedron is occupied by the pyridine molecules, which are almost perpendicular to the equatorial plane N(4)(oxime) in complexes I-IV. The structure of the compounds is a framework with allowance for weak interactions C-H...O and C-H...C. The manner of inclusion of solvents into the crystal and their functioning in structure formation of compounds II-IV are discussed.

  DOI：

  10.1134/s0036023610070090