摘要
以1,3-环己二酮、对溴苯甲醛和对甲基苯胺为原料,在水溶剂中,通过微波辅助一步合成标题化合物,实现了该类化合物的绿色合成.经单晶X射线分析,该化合物晶体属于斜方晶系,空间群Pbca,晶胞参数a=1.969 0(3)nm,b=2.132 6(3)nm,c=2.301 3(2)nm,α=90°,β=90°,γ=90°,相对分子质量Mr=461.36,V=9.66 3(2)nm3,晶胞密度Dc=1.268 g/cm3,Z=16,吸收系数μ(MoK)α=1.722 mm-1,F(000)=3 792.晶体结构用直接法解得,使用全矩阵最小二乘法对原子参数进行修正,最终偏离因子R=0.048 9,ωR=0.096 0.
The title compound has been synthesized via a green microwave-assisted multicomponent reaction of 4-bromobenzaldehyde with cyclohexane-1,3-dione and p-toluidine in water,and its structure was determined by monocrystalline X-ray diffraction.The crystal is orthorhombic.Space group Pbca with a=1.969 0(3) nm,b=2.132 6(3) nm,c=2.301 3(2) nm,α=90°,β= 90°,γ= 90°,Mr=461.36,V=9.663(2) nm3,Dc=1.268 kg/m3,Z=16,μ(MoKα)=1.722 mm-1,F(000)=3 792.The structure was solved by direct methods and refined by the full-matrix method of least-squares to the final R=0.048 9,Rw=0.096 0.
出处
《武汉大学学报(理学版)》
CAS
CSCD
北大核心
2010年第3期293-296,共4页
Journal of Wuhan University:Natural Science Edition
基金
国家自然科学基金资助项目(20672090)
徐州工程学院资助项目(XKY2007241)
关键词
微波合成
晶体结构
多组分反应
microwave synthesis
crystal structure
multicomponent reaction