[4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium]CuCl2 | 1365481-12-4

• 英文名称: [4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium]CuCl2
• CAS: 1365481-12-4
• 化学式: C₁₁H₂₀Cl₂CuNO
• 分子量: 316.738
• InChiKey: XIUTYRNMQGKEJW-UHFFFAOYSA-M

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：

  盐酸 、 copper(II) choride dihydrate 、 4-Ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidine 以 乙醇 、 水 为溶剂， 生成 [4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium]CuCl2
  参考文献：
  名称：

  Zwitterionic copper(I) π-complexes with monosubstituted alkynes. Synthesis and X-ray diffraction study of a π-complex of copper(I) chloride with 4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium chloride

  摘要：

  The first mononuclear pi-complex of copper(I) chloride with monosubstituted alkyne of the formula [(C9H16NH2(OH)C CH)CuCl2] was obtained in the system CuCl-HCl-H2O(C9H16NH2(OH)C CH)Cl (C9H16(OH)C CH is the 4-ethynyl-4-hydroxy-2,2,6,6-tetramethylpiperidinium cation) and studied by single-crystal X-ray and X-ray powder diffraction. The crystals are monoclinic: a = 16.868(8) angstrom, b = 13.177(8) angstrom, c = 13.32(1) angstrom, gamma = 103.50(4)degrees, space group P2(1)/b, Z = 8. The structure of the complex contains two crystallographically independent zwitterionic entities of the formula [(C9H16NH2(OH)C CH)CuCl2], which result from pi-coordination of the potential pi-bidentate bond C C of the organic cation to one Cu(I) atom of the inorganic anion. The distances Cu-m (m is the mid-point of the C C bond) are 1.91(2) angstrom. Along with weak intermolecular hydrogen bonds CH center dot center dot center dot Cl and intramolecular contacts OH center dot center dot center dot Cl, the structure is stabilized by a directed ionic interaction through strong NH center dot center dot center dot Cl bonds.

  DOI：

  10.1134/s0036023612010159