CoCl3(1,4-dimethylpiperazin-1-ium) | 42277-78-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: CoCl3(1,4-dimethylpiperazin-1-ium)
• 英文别名: dichlorocobalt;1,4-dimethylpiperazin-1-ium;chloride
• CAS: 42277-78-1
• 化学式: C₆H₁₅Cl₃CoN₂
• 分子量: 280.551
• InChiKey: QQGRBSBAYINKFV-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：

  1,4-二甲基哌嗪 、 cobalt(II) chloride 以 乙醇 为溶剂， 以67%的产率得到CoCl3(1,4-dimethylpiperazin-1-ium)
  参考文献：
  名称：

  Synthesis and structure of pseudotetrahedral Co(II) zwitterionic complexes: trichloro(1-methylpiperazin-1-ium-N4)cobalt(II) and trichloro(1,4-dimethylpiperazin-1-ium-N4)cobalt(II)

  摘要：

  The pseudotetrahedral cobalt(II) zwitterionic complexes, [CoCl3(H(2)Meppz)] (1) [H(2)Meppz(+)=1-methylpiperazin-1-ium cation] and [CoCl3(HMe(2)ppz)] (2), [HMe(2)ppz(+)=1,4-dimethylpiperazin-1-ium cation] have been synthesized and characterized in the solid state by X-ray single crystal analysis, IR spectra, magnetic measurements and electronic spectra. In both the compounds the cobalt(II) center is coordinated in a distorted tetrahedral fashion by the three chloride ions and by one nitrogen of the piperazine ring that retains the more stable chair conformation. The distorted coordination polyhedron in complex 1 preserves the C-3v symmetry while in complex 2 it retains only the m symmetry. In complex 1, the (H(2)Meppz)(+) cation binds the Co(II) ion in the equatorial position of the piperazine ring using the unmethylated N1-H nitrogen atom that is less hindered than the methylated one. Complex 2, on the contrary, is a novelty being the first example of a Co(II) ion bound in the axial position of a piperazine ring, this produces a long Co(II)-N bond, 2.108(4) Angstrom. Electronic spectra in the solid state are in perfect accordance with the X-ray crystallographic results indicating a C-3v symmetry for complex 1 and a C-s(m) symmetry for complex 2. These complexes present strong two-center and three-center hydrogen bonds of N+-H ... Cl type. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00181-3