摘要
用NMR分子力学计算和单晶X射线衍射方法对 2 (1,11 十一亚甲基 ) 5 取代亚胺基 Δ3 1,3,4 噻二唑啉 (1)的构象进行了分析 ,结果表明 ,标题化合物 1的十二员环采取D4 对称的 [3333]构象 ,噻二唑啉环与十二员环近似平面几乎垂直构成螺环 ,位于 [3333]构象的一个角碳 ,亚胺基上的取代基对母体十二员环骨架的构象及13
The conformation of 2-(1,11-undecylidene)-5-imino-Δ 3-1,3,4-thiadiazoline was analyzed by NMR, molecular mechanic calculation and X-ray diffraction study. Results show that the conformation of cyclododecanyl is [3333] (D 4), with the thiadiazoline ring present at the corner carbon of [3333] conformation and the thiadiazoline plane perpendicular to the cyclododecanyl plane. The N-substituent groups at imino moiety did not affect the conformation and 13C NMR chemical shifts of parent skeleton of title compounds.
出处
《有机化学》
SCIE
CAS
CSCD
北大核心
2002年第8期594-598,共5页
Chinese Journal of Organic Chemistry
基金
国家自然科学基金 (No .2 0 0 72 0 5 3)资助项目
