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Ethyl 6-ethoxy-carbonyl-methyl-4-(2-hydroxy-phen-yl)-2-oxo-1,2,3,4-tetra-hydro-pyrimidine-5-carboxyl-ate.

作者信息

Kettmann Viktor, Světlík Jan, Veizerová Lucia

机构信息

Faculty of Pharmacy, Comenius University, Odbojarov 10, SK-83232 Bratislava, Slovakia.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 May 17;64(Pt 6):o1092. doi: 10.1107/S1600536808012683.

Abstract

The title compound, C(17)H(20)N(2)O(6), belongs to the monastrol-type of anti-cancer agents and was selected for crystal structure determination in order to confirm its mol-ecular structure and explore some aspects of its structure-activity relationships. The central tetra-hydro-pyrimidine ring has a flat-envelope conformation. The 4-hydroxy-phenyl group occupies a pseudo-axial position and is inclined at an angle of 87.7 (2)° to the mean plane of the heterocyclic ring. Of the two ethyl ester groups, one (in the 5-position) is in a coplanar and the other (in the 6-position) is in a perpendicular orientation with respect to the heterocyclic plane. There is a three-dimensional hydrogen-bonding network in which all hydrogen-bond donors and acceptors are involved.

摘要
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/8fcb/2961528/1777219aa73c/e-64-o1092-fig1.jpg

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