X-ray diffraction studies of 5-functionalized substituted 1,2,3,4-tetrahydropyrimidin-2-ones(thiones): I. Molecular structures of 5-acetyl-4-ethyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2-thione, 5-acetyl-6-methyl-4-(4-methylphenyl)-1,2,3,4-tetrahydropyrimidine-2-thione, and 5-acetyl-4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one |
| |
| Authors: | G V Gurskaya V E Zavodnik A D Shutalev |
| |
| Institution: | (1) éngelhardt Institute of Molecular Biology, Russian Academy of Sciences, ul. Vavilova 32, Moscow, 119991, Russia;(2) Karpov Research Institute of Physical Chemistry, State Scientific Center, ul. Vorontsovo pole 10, Moscow, 103064, Russia;(3) Lomonosov State Academy of Fine Chemical Technology, pr. Vernadskogo 86, Moscow, 117571, Russia |
| |
| Abstract: | The structures of three 5-acetyl-1,2,3,4-tetrahydropyrimidin-2-ones(thiones), namely, 5-acetyl-4-ethyl-6-methyl-1,2,3,4-tetrahydropyrimidine-2-thione, 5-acetyl-6-methyl-4-(4-methylphenyl)-1,2,3,4-tetrahy-dropyrimidine-2-thione, and 5-acetyl-4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one, which are potential medicinals, are studied by X-ray diffraction. The conformational features of the molecules studied are analyzed. For these compounds, the dependence of the conformation of the tetrahydropyrimidine ring on the orientation of the substituent at the C(4) atom with respect to the heterocycle is found. |
| |
| Keywords: | |
| 本文献已被 SpringerLink 等数据库收录！ |
|
