[Cu(μ-Br)(bis(4-bromo-3,5-dimethylpyrazol-1-yl)methane)](n) | 1311269-34-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: [Cu(μ-Br)(bis(4-bromo-3,5-dimethylpyrazol-1-yl)methane)](n)
• CAS: 1311269-34-7
• 化学式: Br*C₁₁H₁₄Br₂N₄*Cu
• 分子量: 505.517
• InChiKey: VJLNMACLBMBTEW-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.35
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  35.64
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  bis(3,5-dimethyl-4-bromopyrazole-1-yl)methane 、 copper(I) bromide 以 乙腈 为溶剂， 以89%的产率得到[Cu(μ-Br)(bis(4-bromo-3,5-dimethylpyrazol-1-yl)methane)](n)
  参考文献：
  名称：

  Syntheses, crystal structures and luminescent properties of four one-dimensional coordination polymers [Cu(μ-X)(brdmpzm)] (X = Cl, Br, I, CN; brdmpzm = bis(4-bromo-3,5-dimethylpyrazol-1-yl)methane)

  摘要：

  Solvothermal reactions of CuX (X = Cl, Br, I, CN) with bis(4-bromo-3,5-dimethylpyrazol-1-yl)methane (brdmpzm) in MeCN gave rise to four one-dimensional coordination polymers [Cu(mu-X)(brdmpzm)](n) (X = Cl (1), Br (2), 1(3), CN (4)). Compounds 1-4 were characterized by elemental analysis, IR spectra and X-ray crystallography. X-ray analysis revealed that 1-3 have a 1D split-stair chain derived from connecting [Cu(brdmpzm)] fragments via mu-X bridges, while 4 consists of a zigzag chain formed by linking [Cu(brdmpzm)] fragments via mu-CN bridges. The luminescence properties of 1-4 along with free brdmpzm ligand at ambient temperature were also investigated. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.04.022