Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

In the title compound, C(18)H(19)ClN(4)O(3), the dihydro­pyrimidin­one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra­molecular C—H⋯O contact generates an S(8) ring motif that stabilizes the mol­ecular conformation and prec...

Descripción completa

Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Yeap, Chin Sing, Sujith, K. V., Kalluraya, B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969568/
https://www.ncbi.nlm.nih.gov/pubmed/21583097
http://dx.doi.org/10.1107/S1600536809016365
_version_ 1782190190107820032
author Fun, Hoong-Kun
Yeap, Chin Sing
Sujith, K. V.
Kalluraya, B.
author_facet Fun, Hoong-Kun
Yeap, Chin Sing
Sujith, K. V.
Kalluraya, B.
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(18)H(19)ClN(4)O(3), the dihydro­pyrimidin­one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra­molecular C—H⋯O contact generates an S(8) ring motif that stabilizes the mol­ecular conformation and precludes the carbonyl O atom of the ester group from forming inter­molecular inter­actions. Mol­ecules are linked into centrosymmetric dimers by pairs of N—H⋯O hydrogen bonds and the dimers are linked into infinite chains along [101] by N—H⋯N hydrogen bonds.
format Text
id pubmed-2969568
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29695682010-12-30 Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Fun, Hoong-Kun Yeap, Chin Sing Sujith, K. V. Kalluraya, B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(18)H(19)ClN(4)O(3), the dihydro­pyrimidin­one ring adopts a flattened boat conformation. The dihedral angle between the phenyl and pyrazole rings is 43.39 (6)°. An intra­molecular C—H⋯O contact generates an S(8) ring motif that stabilizes the mol­ecular conformation and precludes the carbonyl O atom of the ester group from forming inter­molecular inter­actions. Mol­ecules are linked into centrosymmetric dimers by pairs of N—H⋯O hydrogen bonds and the dimers are linked into infinite chains along [101] by N—H⋯N hydrogen bonds. International Union of Crystallography 2009-05-07 /pmc/articles/PMC2969568/ /pubmed/21583097 http://dx.doi.org/10.1107/S1600536809016365 Text en © Fun et al. 2009 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
Fun, Hoong-Kun
Yeap, Chin Sing
Sujith, K. V.
Kalluraya, B.
Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Ethyl 4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort ethyl 4-(5-chloro-3-methyl-1-phenyl-1h-pyrazol-4-yl)-6-methyl-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969568/
https://www.ncbi.nlm.nih.gov/pubmed/21583097
http://dx.doi.org/10.1107/S1600536809016365
work_keys_str_mv AT funhoongkun ethyl45chloro3methyl1phenyl1hpyrazol4yl6methyl2oxo1234tetrahydropyrimidine5carboxylate
AT yeapchinsing ethyl45chloro3methyl1phenyl1hpyrazol4yl6methyl2oxo1234tetrahydropyrimidine5carboxylate
AT sujithkv ethyl45chloro3methyl1phenyl1hpyrazol4yl6methyl2oxo1234tetrahydropyrimidine5carboxylate
AT kallurayab ethyl45chloro3methyl1phenyl1hpyrazol4yl6methyl2oxo1234tetrahydropyrimidine5carboxylate

Ejemplares similares