Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate

In the organic mol­ecule of the title compound, C(14)H(16)N(2)O(3)S·H(2)O, the two rings are oriented at a dihedral angle of 84.31 (2)°. In the crystal structure, intra­molecular O—H⋯O and inter­molecular O—H⋯O, N—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds are found.

Detalles Bibliográficos
Autores principales: Liu, Bo, Zhang, Mingjie, Cui, Naijing, Zhu, Jie, Cui, Jin
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2007
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915317/
https://www.ncbi.nlm.nih.gov/pubmed/21200826
http://dx.doi.org/10.1107/S1600536807065737
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author Liu, Bo
Zhang, Mingjie
Cui, Naijing
Zhu, Jie
Cui, Jin
author_facet Liu, Bo
Zhang, Mingjie
Cui, Naijing
Zhu, Jie
Cui, Jin
author_sort Liu, Bo
collection PubMed
description In the organic mol­ecule of the title compound, C(14)H(16)N(2)O(3)S·H(2)O, the two rings are oriented at a dihedral angle of 84.31 (2)°. In the crystal structure, intra­molecular O—H⋯O and inter­molecular O—H⋯O, N—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds are found.
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spelling pubmed-29153172010-12-30 Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate Liu, Bo Zhang, Mingjie Cui, Naijing Zhu, Jie Cui, Jin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the organic mol­ecule of the title compound, C(14)H(16)N(2)O(3)S·H(2)O, the two rings are oriented at a dihedral angle of 84.31 (2)°. In the crystal structure, intra­molecular O—H⋯O and inter­molecular O—H⋯O, N—H⋯O, O—H⋯S and N—H⋯S hydrogen bonds are found. International Union of Crystallography 2007-12-12 /pmc/articles/PMC2915317/ /pubmed/21200826 http://dx.doi.org/10.1107/S1600536807065737 Text en © International Union of Crystallography 2008 http://journals.iucr.org/services/termsofuse.html This is an open-access article distributed under the terms described at http://journals.iucr.org/services/termsofuse.html.
spellingShingle Organic Papers
Liu, Bo
Zhang, Mingjie
Cui, Naijing
Zhu, Jie
Cui, Jin
Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_full Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_fullStr Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_short Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_sort ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-thioxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2915317/
https://www.ncbi.nlm.nih.gov/pubmed/21200826
http://dx.doi.org/10.1107/S1600536807065737
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