Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate

In the title mol­ecule, C(18)H(21)ClN(2)O(3)S, the pyrimidine ring exhibits a half-chair conformation. The ethyl group is disordered between two positions in a ratio 0.74:0.26. In the crystal structure, the mol­ecules are linked into chains along the a axis by N—H⋯O hydrogen bonds.

Detalles Bibliográficos
Autores principales: He, Qing-Peng, Wang, Jian-Yong, Feng, Ruo-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960298/
https://www.ncbi.nlm.nih.gov/pubmed/21201384
http://dx.doi.org/10.1107/S160053680706730X
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author He, Qing-Peng
Wang, Jian-Yong
Feng, Ruo-Kun
author_facet He, Qing-Peng
Wang, Jian-Yong
Feng, Ruo-Kun
author_sort He, Qing-Peng
collection PubMed
description In the title mol­ecule, C(18)H(21)ClN(2)O(3)S, the pyrimidine ring exhibits a half-chair conformation. The ethyl group is disordered between two positions in a ratio 0.74:0.26. In the crystal structure, the mol­ecules are linked into chains along the a axis by N—H⋯O hydrogen bonds.
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spelling pubmed-29602982010-12-30 Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate He, Qing-Peng Wang, Jian-Yong Feng, Ruo-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(18)H(21)ClN(2)O(3)S, the pyrimidine ring exhibits a half-chair conformation. The ethyl group is disordered between two positions in a ratio 0.74:0.26. In the crystal structure, the mol­ecules are linked into chains along the a axis by N—H⋯O hydrogen bonds. International Union of Crystallography 2008-01-04 /pmc/articles/PMC2960298/ /pubmed/21201384 http://dx.doi.org/10.1107/S160053680706730X Text en © He 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
He, Qing-Peng
Wang, Jian-Yong
Feng, Ruo-Kun
Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 6-(2-chloro­phen­yl)-4-methyl-1-(3-oxobut­yl)-2-thioxo-1,2,3,6-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960298/
https://www.ncbi.nlm.nih.gov/pubmed/21201384
http://dx.doi.org/10.1107/S160053680706730X
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AT wangjianyong ethyl62chlorophenyl4methyl13oxobutyl2thioxo1236tetrahydropyrimidine5carboxylate
AT fengruokun ethyl62chlorophenyl4methyl13oxobutyl2thioxo1236tetrahydropyrimidine5carboxylate

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