[(pyridoxal-4-methylthiosemicarbazide)dichloroiron(III)] p-toluenesulfonate | 955953-03-4

• 英文名称: [(pyridoxal-4-methylthiosemicarbazide)dichloroiron(III)] p-toluenesulfonate
• CAS: 955953-03-4
• 化学式: C₇H₇O₃S*C₁₀H₁₄Cl₂FeN₄O₂S
• 分子量: 552.263
• InChiKey: PRNOSTRHRCALDE-NZYHXYHESA-K

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None

反应信息

• 作为产物：
  描述：

  pyridoxal 4-methyl-3-thiosemicarbazone hydrochloride 、 Fe(OTs)₃*6H₂O 以 乙醇 为溶剂， 以82%的产率得到[(pyridoxal-4-methylthiosemicarbazide)dichloroiron(III)] p-toluenesulfonate
  参考文献：
  名称：

  Crystal structure and magnetic behaviour of a five-coordinate iron(III) complex of pyridoxal-4-methylthiosemicarbazone

  摘要：

  The crystal structure and magnetic properties of a penta-coordinate iron(III) complex of pyridoxal-4-methylthiosemicarbazone, [Fe(H(2)mthpy)Cl-2](CH3C6H4SO3), are reported. The synthesised ligand and the metal complex were characterised by spectroscopic methods (H-1 NMR, IR, and mass spectroscopy), elemental analysis, and single crystal X-ray diffraction. The complex crystallises as dark brown microcrystals. The crystal data determined at 100(l) K revealed a triclinic system, space group P (1) over bar (Z = 2). The ONSCl2, geometry around the iron(III) atom is intermediate between trigonal bipyramidal and square pyramidal (tau = 0.40). The temperature dependence of the magnetic susceptibility (5-300 K) is consistent with a high spin Fe(III) ion (S = 5/2) exhibiting zero-field splitting. Interpretation of these data yielded: D = 0.34(1) cm(-1) and g = 2.078(3). (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2007.03.045