桥联杂环卡宾前体[CH_3CH(NCHCHN)CH_2]_2Br_2^-的合成

Synthesis of N-Heterocyclic Carbene Predecessor Bridged by Carbon Atoms [CH_3CH(NCHCHN)CH_2]_2Br_2^-

甲基咪唑与1,2-二溴乙烷在THF(四氢呋喃)中以2∶1(摩尔比)反应合成了一种新型桥联氮杂环卡宾前体[CH3CH(NCHCHN)CH2]2Br2-,产物通过核磁和X射线衍射表征.晶体结构显示其晶体属单斜晶系P21/c,a=0.8475(3)nm,b=0.8916(3)nm,c=0.9234(3)nm,α=90°,β=108.214°,γ=90°,V=0.6628(4)nm3,Z=2,Dc=1.764 mg/m3,μ=6.097 mm-1,F(000)=348.产物分子结构中存在的大量氢键是其形成空间网状结构的主要原因.

A new N-heterocyclic carbene predecessor [CH3CH（NCHCHN）CH2]2Br2 has been successfully synthesized by the reaction of methyl-imidazole with BrCH2 CH2 Br in 2 ： 1 molar ratio in THF. The compound 1 has been characterized by the 1H NMR and X-ray diffraction. The results show that the crystal belongs to Monoclinic system. Crystal data： P21/c, a=0.847 5（3） nm, b=0.891 6（3） nm, c= 0. 923 4（3） nm, α=90°, β=108. 214°, γ=90°, V=0. 662 8（4） nm^3 , Z=2, Dc=1. 764 mg/m^3 , μ=6. 097 mm^-1, F（000）= 348, Hydrogen bonds play a key role for the stable structure in the compounds. The combination of non-covalent interaction leads to the formation of network structure.