节点文献
离子液体中4-甲氧苯基双(4,4-二甲基-6-羟基-1-氧代-2-环己烯基)甲烷的合成及晶体结构(英文)
Synthesis and Crystal Structure of 4-Methoxyphenylbis (4,4-Dimethyl-6-hydroxy-1-oxo-2-cyclohexenyl)methane
【摘要】 标题化合物C24H30O5是由对甲氧基苯甲醛和达米酮在离子液体中反应而得.化合物结构通过元素分析、红外、核磁共振氢谱及单晶X射线衍射分析表征.其晶体属于单斜晶系,空间群P21/n,a=0.887 77(14),b=1.154 5(2),c=2.100 6(4)nm,β=98.530(7)°,Mr=398.48,V=2.129 2(6)nm3,Dc=1.243 g/cm3,Z=4,μ(Mo Kα)=0.086mm-1,F(000)=856,R=0.056 9,Rw=0.115 9.X衍射分析表明:分子中烯醇式结构采用半椅式构象.此外,分子中存在分子内氢键.
【Abstract】 The title compound(C24H30O5) was synthesized by the reaction of 4-methoxybenzaldehyde and dimedone in ionic liquid [bmim+][BF-4].Its structure was characterized by elemental analysis, IR,1HNMR and X-ray single crystal diffraction.The crystal is of monoclinic,space group P21/n with a=0.887 77(14),b=1.154 5(2),c=2.100 6(4) nm,β=98.530(7)°,Mr=398.48,V=2.129 2(6) nm3,Dc=1.243 g/cm3,Z=4,μ(Mo Kα)=0.086 mm-1,F(000)=856,R=0.056 9,Rw=0.115 9.X-ray analysis reveals that the enol form ring adopts a half-chair conformation.In addition,there are intramolecular hydrogen bonds in the structure.
- 【文献出处】 徐州师范大学学报(自然科学版) ,Journal of Xuzhou Normal University(Natural Science Edition) , 编辑部邮箱 ,2006年03期
- 【分类号】O624.1
- 【被引频次】1
- 【下载频次】121