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Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The title compound, C(17)H(20)N(2)O(6), belongs to the monastrol-type of anticancer agents and was selected for crystal structure determination in order to confirm its molecular structure and explore some aspects of its structure–activity relationships. The central tetrahydropyrimidine ring has...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961528/ https://www.ncbi.nlm.nih.gov/pubmed/21202607 http://dx.doi.org/10.1107/S1600536808012683 |
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author | Kettmann, Viktor Světlík, Jan Veizerová, Lucia |
author_facet | Kettmann, Viktor Světlík, Jan Veizerová, Lucia |
author_sort | Kettmann, Viktor |
collection | PubMed |
description | The title compound, C(17)H(20)N(2)O(6), belongs to the monastrol-type of anticancer agents and was selected for crystal structure determination in order to confirm its molecular structure and explore some aspects of its structure–activity relationships. The central tetrahydropyrimidine ring has a flat-envelope conformation. The 4-hydroxyphenyl 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. |
format | Text |
id | pubmed-2961528 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29615282010-12-30 Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate Kettmann, Viktor Světlík, Jan Veizerová, Lucia Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(20)N(2)O(6), belongs to the monastrol-type of anticancer agents and was selected for crystal structure determination in order to confirm its molecular structure and explore some aspects of its structure–activity relationships. The central tetrahydropyrimidine ring has a flat-envelope conformation. The 4-hydroxyphenyl 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. International Union of Crystallography 2008-05-17 /pmc/articles/PMC2961528/ /pubmed/21202607 http://dx.doi.org/10.1107/S1600536808012683 Text en © Kettmann et al. 2008 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Kettmann, Viktor Světlík, Jan Veizerová, Lucia Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title | Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full | Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_fullStr | Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full_unstemmed | Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_short | Ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_sort | ethyl 6-ethoxycarbonylmethyl-4-(2-hydroxyphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2961528/ https://www.ncbi.nlm.nih.gov/pubmed/21202607 http://dx.doi.org/10.1107/S1600536808012683 |
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