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

Mostrar otras versiones (1)

There are three formula units in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)·H(2)O. Mol­ecules are linked by N—H⋯O hydrogen bonds into dimers with the common R (2) (2)(8) graph-set motif. Between dimers, single N—H⋯O hydrogen bonds are formed between the other N—H group of each pyr...

Descripción completa

Detalles Bibliográficos
Autores principales: Das, Ushati, Chheda, Shardul B., Pednekar, Suhas R., Karambelkar, Narendra P, Guru Row, T. N.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960136/
https://www.ncbi.nlm.nih.gov/pubmed/21581452
http://dx.doi.org/10.1107/S1600536808039548
_version_ 1782188666889699328
author Das, Ushati
Chheda, Shardul B.
Pednekar, Suhas R.
Karambelkar, Narendra P
Guru Row, T. N.
author_facet Das, Ushati
Chheda, Shardul B.
Pednekar, Suhas R.
Karambelkar, Narendra P
Guru Row, T. N.
author_sort Das, Ushati
collection PubMed
description There are three formula units in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)·H(2)O. Mol­ecules are linked by N—H⋯O hydrogen bonds into dimers with the common R (2) (2)(8) graph-set motif. Between dimers, single N—H⋯O hydrogen bonds are formed between the other N—H group of each pyrimidine ring and the hydroxyl groups. The water mol­ecules accept O—H⋯O hydrogen bonds from the hydroxyl groups and donate hydrogen bonds to the ester groups.
format Text
id pubmed-2960136
institution National Center for Biotechnology Information
language English
publishDate 2008
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29601362010-12-30 Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate Das, Ushati Chheda, Shardul B. Pednekar, Suhas R. Karambelkar, Narendra P Guru Row, T. N. Acta Crystallogr Sect E Struct Rep Online Organic Papers There are three formula units in the asymmetric unit of the title compound, C(14)H(16)N(2)O(4)·H(2)O. Mol­ecules are linked by N—H⋯O hydrogen bonds into dimers with the common R (2) (2)(8) graph-set motif. Between dimers, single N—H⋯O hydrogen bonds are formed between the other N—H group of each pyrimidine ring and the hydroxyl groups. The water mol­ecules accept O—H⋯O hydrogen bonds from the hydroxyl groups and donate hydrogen bonds to the ester groups. International Union of Crystallography 2008-11-29 /pmc/articles/PMC2960136/ /pubmed/21581452 http://dx.doi.org/10.1107/S1600536808039548 Text en © Das 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
Das, Ushati
Chheda, Shardul B.
Pednekar, Suhas R.
Karambelkar, Narendra P
Guru Row, T. N.
Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_full Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_fullStr Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_full_unstemmed Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_short Ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
title_sort ethyl 4-(4-hydroxy­phen­yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate monohydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2960136/
https://www.ncbi.nlm.nih.gov/pubmed/21581452
http://dx.doi.org/10.1107/S1600536808039548
work_keys_str_mv AT dasushati ethyl44hydroxyphenyl6methyl2oxo1234tetrahydropyrimidine5carboxylatemonohydrate
AT chhedashardulb ethyl44hydroxyphenyl6methyl2oxo1234tetrahydropyrimidine5carboxylatemonohydrate
AT pednekarsuhasr ethyl44hydroxyphenyl6methyl2oxo1234tetrahydropyrimidine5carboxylatemonohydrate
AT karambelkarnarendrap ethyl44hydroxyphenyl6methyl2oxo1234tetrahydropyrimidine5carboxylatemonohydrate
AT gururowtn ethyl44hydroxyphenyl6methyl2oxo1234tetrahydropyrimidine5carboxylatemonohydrate

Ejemplares similares