Cu(N-(pyrimidin-2-yl)acetamide)2(chloride)2 | 952293-55-9

• 英文名称: Cu(N-(pyrimidin-2-yl)acetamide)2(chloride)2
• CAS: 952293-55-9
• 化学式: C₁₂H₁₄Cl₂CuN₆O₂
• 分子量: 408.734
• InChiKey: XTNTVIKRHLXCNI-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：

  2-乙酰氨嘧啶 、 copper dichloride 以 甲醇 为溶剂， 生成 Cu(N-(pyrimidin-2-yl)acetamide)2(chloride)2
  参考文献：
  名称：

  Synthesis, X-ray crystal structures, spectroscopic properties and magnetism of copper(II) compounds of formula trans-Cu(LL)2(anion)2, with N-(pyridin-2-yl)acetamide and N-(pyrimidin-2-yl)acetamide as ligands: Unexpected absence of hydrogen bonding to the non-coordinating nitrogen atom of the ligand

  摘要：

  A coordination chemistry and lattice engineering study of 10 new Cu(II) compounds with the ligands N-(pyridin-2-yl)acetamide (Haap) and N-(pyrimidin-2-yl)acetamide (Haapm) with the general formula Cu(LL)(2)(anion)(2) is described. The bidentate ligands bind in a N,O-chelating mode and the used anions are ClO4-, CF3SO3-, BF4-, NO3-, Cl-. For five of the compounds a 3D crystal and molecular structure analysis has been performed. All Cu(II) ions have a tetragonal-based geometry; the basal plane of each copper consists of a N and an O atom of two different bischelating N,O-donor ligands; Cu-N distances vary from 2.00 to 2.04 angstrom and Cu-O distances are between 1.93 and 1.96 angstrom, whereas the apical sites are occupied by an atom of the anions, thereby providing an elongated octahedral geometry (Cu-anion contacts are between 2.41 and 2.81 angstrom).The intermolecular interactions are all involving multiple H-bond systems, providing a 2D polymeric array for most of the compounds. The chloride compound forms a zigzag polymeric array of hydrogen bonds. Most surprisingly, the lion-coordinating pyrimidine nitrogen atom, does not take part in any lattice hydrogen bonding. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.04.035