Acta Chimica Sinica ›› 1989, Vol. 47 ›› Issue (3): 216-220. Previous Articles     Next Articles

Original Articles

5-取代丙二酸亚异丙酯的结构研究 II: 5-(α-异丙基)-2,2-二甲基-1,3-二氧杂环乙烷-4,6-二酮的晶体结构及量子化学计算

董南;吴念慈;黄宪;胡盛志;麦松威   

  1. 杭州大学化学系;厦门大学化学系;香港中文大学化学系
  • 发布日期:1989-03-15

Conformational investigations of 5-substituted isopropylidene malonates II: Structure of 5-(α-isopropyl)-2, 2-dimethyl-1,3-dioxan-4,6-dione

DONG NAN;WU NIANCI;HUANG XIAN;HU SHENGZHI;MAK THOMAS C.W.   

  • Published:1989-03-15

The structure of the title compound (I) was determine by x-ray crystallog. The 1,3-dioxane-4,6-dione ring had a twist-boat conformation. A CNDO/2 study of 5-(a-phenylethyl)-2,2-dimethyl-1,3-dioxane-4,6-dione showed that the most stable conformation was the twist-boat form.

Key words: CRYSTAL STRUCTURE, QUANTUM CHEMISTRY, CNDO APPROXIMATION, DIKETONE, DIOXANE P

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