[2-AmpH][CuCl2(HOCH2CCCH2OH)] | 1169696-11-0

• 英文名称: [2-AmpH][CuCl2(HOCH2CCCH2OH)]
• 英文别名: [2-aminopyridinium][CuCl2(2-butyne-1,4-diol)]
• CAS: 1169696-11-0
• 化学式: C₄H₆Cl₂CuO₂*C₅H₇N₂
• 分子量: 315.666
• InChiKey: GPBUVCBANFKGJA-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：

  丁炔二醇 、 2-氨基吡啶盐酸盐 、 copper(l) chloride 以 水 为溶剂， 生成 [2-AmpH][CuCl2(HOCH2CCCH2OH)]
  参考文献：
  名称：

  Copper(I) π-complexes with 2-butyne-1,4-diol. Synthesis and crystal structure of (2-AmpH)[CuCl2(HOCH2C≡CCH2OH)] (2-AmpH+ is 2-aminopyridinium cation)

  摘要：

  Crystals of the pi-complex (2-AmpH)[CuCl(2)(HOCH(2) CCH(2)OH)] (2-AmpH(+) is the 2-aminopyridinium cation) were obtained by the reaction of 2-butyne-1,4-diol with CuCl in aqueous 2-aminopyridinium chloride solution and studied by X-ray diffraction: space group P (1) over bar, a= 7.172(4), b= 7.796(3), c = 11.60(9) angstrom, alpha = 99.75(6)degrees, beta = 96.53(7)degrees, gamma = 101.03(3)degrees, Z = 2. The crystals consist of individual anions [CuCl(2)(HOCH(2) CCH(2)OH)](-) and cations [2-AmpH](+). The pi-coordinated Cu(I) atoms of the complex anion have trigonal-planar surrounding of two chlorine atoms and C C bond of the 2-butyne-1,4-diol molecule. The alcohol groups form stable hydrogen bonds N-H center dot center dot center dot O (1.89 angstrom) and O-H center dot center dot center dot Cl (2.20 angstrom).

  DOI：

  10.1134/s1070328408080101