Cu(NCS)2(4-benzoylpyridine)2 | 1314913-90-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cu(NCS)2(4-benzoylpyridine)2
• CAS: 1314913-90-0
• 化学式: C₂₆H₁₈CuN₄O₂S₂
• 分子量: 546.133
• InChiKey: XZWHYELHLKMHLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 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：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  copper(II) nitrate trihydrate 、 potassium thioacyanate 、 4-苯甲酰吡啶 以 甲醇 、 水 为溶剂， 以63%的产率得到Cu(NCS)2(4-benzoylpyridine)2
  参考文献：
  名称：

  Two copper(II) complexes with 4-benzoylpyridine ligand: Synthesis, crystal structure and luminescent properties

  摘要：

  Two new copper(II) complexes Cu(NCS)(2)(4-Bzpy)(2) (1) and Cu(NO3)(2)(4-BzPY)(4) (2) (4-Bzpy = 4-benzoylpyridine) have been synthesized and characterized by IR. UV, elemental analysis and X-ray crystallography. Cu(II) atom has a square planar environment for 1 and an distorted octahedral environment for 2, respectively. In solid state there are C-H...pi interactions and C-H...S hydrogen bonds between adjacent molecules in complex 1. The molecule of complex 2 is further connected by multiform pi-pi interactions, C-H...pi interactions and C-H...O hydrogen bonds to form a three-dimensional supramolecular structure. The luminescent properties of the complexes 1 and 2 were both investigated in H2O solution and in solid state at room temperature, respectively. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2011.04.065