[copper(1,4-diazacycloheptane)2(trichloroacetate)]trichloroacetate | 307931-83-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: [copper(1,4-diazacycloheptane)2(trichloroacetate)]trichloroacetate
• 英文别名: copper;1,4-diazepane;2,2,2-trichloroacetate
• CAS: 307931-83-5
• 化学式: C₂Cl₃O₂*C₁₂H₂₄Cl₃CuN₄O₂
• 分子量: 588.633
• InChiKey: FBVKPXRKWPMSCH-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：

  高哌嗪 、 三氯乙酸铜(II) 以 甲醇 为溶剂， 生成 [copper(1,4-diazacycloheptane)2(trichloroacetate)]trichloroacetate
  参考文献：
  名称：

  Synthesis, characterisation and crystal structure of a 1,4-diazacycloheptane complex of copper(II)

  摘要：

  A new complex of formula [Cu(dach)(2)(CCl3CO2)]CCl3CO2 (dach = 1,4-diazacycloheptane) has been synthesised and its crystal structure determined by single-crystal X-ray diffraction. The crystal structure contains two independent copper(II)-centred cations (one disordered) and two trichloroacetate ions. Both copper(II) atoms are pentacoordinate. The chelated 1,4-diazacycloheptane moieties are in a double boat conformation and represent the first structurally characterised example of a trans configuration for two such ligands at a metal centre. The compound was also characterised by IR, electronic and EPR spectra, cyclic voltammetry, and magnetic susceptibility studies. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(00)00480-0