1-methyl-3-(2'-nitro-4'-bromobenzyl)imidazolium bromide | 870767-79-6

• 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: 1-methyl-3-(2'-nitro-4'-bromobenzyl)imidazolium bromide
• CAS: 870767-79-6
• 化学式: Br*C₁₁H₁₁BrN₃O₂
• 分子量: 377.035
• InChiKey: XIBKYPGHCCXCBG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.96
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  51.95
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  1-methyl-3-(2'-nitro-4'-bromobenzyl)imidazolium bromide 在 I₂ 作用下， 以 水 、 乙腈 为溶剂， 生成 1-methyl-3-(2'-nitro-4'-bromobenzyl)imidazolium bis(maleonitriledithiolate)nickel(II)
  参考文献：
  名称：

  Crystal and molecular structures of two nickel maleonitriledithiolate complexes containing 1-methyl-3-(2′-nitryl-4′-bromo-benzyl)-imidazolium cations

  摘要：

  Two new ion-pair complexes, [NO(2)BrBzIm](2)[Ni(mnt)(2)] 1, [NO(2)BrBzIm][Ni(mnt)(2)]2, where [NO(2)BrBzIm](+) = 1-methyl-3-(2'-nitro-4'bromobenzyl)imidazolium, mnt(2-) = maleonitriledithiolate, have been synthesized and characterized by elemental analysis, IR spectroscopy, UV-visible spectroscopy and X-ray crystallography. The single crystal structure analyses show that in the dianionic complex I cations and anions are intermingled each other and stacked along the c-axis with an ACCACC-type repeat unit, whereas the monoanionic complex 2 forms a well-segregated stacking column structure in the solid state. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2005.05.051