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Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate

In the title compound, C(14)H(14)Cl(2)N(2)O(3), the chloro­phenyl ring makes a dihedral angle of 87.08 (9)° with the tetra­hydro­pyrimidine ring. There is a short intra­molecular C—H⋯O contact present. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers...

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Autores principales: Bharanidharan, S., Saleem, H., Gunasekaran, B., Padusha, M. Syed Ali, Suresh, M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257316/
https://www.ncbi.nlm.nih.gov/pubmed/25484820
http://dx.doi.org/10.1107/S1600536814023046
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author Bharanidharan, S.
Saleem, H.
Gunasekaran, B.
Padusha, M. Syed Ali
Suresh, M.
author_facet Bharanidharan, S.
Saleem, H.
Gunasekaran, B.
Padusha, M. Syed Ali
Suresh, M.
author_sort Bharanidharan, S.
collection PubMed
description In the title compound, C(14)H(14)Cl(2)N(2)O(3), the chloro­phenyl ring makes a dihedral angle of 87.08 (9)° with the tetra­hydro­pyrimidine ring. There is a short intra­molecular C—H⋯O contact present. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via a second pair of N—H⋯O hydrogen bonds, this time enclosing an R (4) (4)(20) ring motif, forming ribbons along [100]. The ribbons are linked via C—H⋯O hydrogen bonds, forming sheets lying parallel to (001). The terminal ethyl group is disordered over two positions with an occupancy ratio of 0.654 (17):0.346 (17).
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spelling pubmed-42573162014-12-05 Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate Bharanidharan, S. Saleem, H. Gunasekaran, B. Padusha, M. Syed Ali Suresh, M. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(14)H(14)Cl(2)N(2)O(3), the chloro­phenyl ring makes a dihedral angle of 87.08 (9)° with the tetra­hydro­pyrimidine ring. There is a short intra­molecular C—H⋯O contact present. In the crystal, mol­ecules are linked via pairs of N—H⋯O hydrogen bonds, forming inversion dimers with an R (2) (2)(8) ring motif. The dimers are linked via a second pair of N—H⋯O hydrogen bonds, this time enclosing an R (4) (4)(20) ring motif, forming ribbons along [100]. The ribbons are linked via C—H⋯O hydrogen bonds, forming sheets lying parallel to (001). The terminal ethyl group is disordered over two positions with an occupancy ratio of 0.654 (17):0.346 (17). International Union of Crystallography 2014-10-24 /pmc/articles/PMC4257316/ /pubmed/25484820 http://dx.doi.org/10.1107/S1600536814023046 Text en © Bharanidharan et al. 2014 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 Data Reports
Bharanidharan, S.
Saleem, H.
Gunasekaran, B.
Padusha, M. Syed Ali
Suresh, M.
Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_fullStr Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_full_unstemmed Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_short Crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
title_sort crystal structure of ethyl 6-(chloro­meth­yl)-4-(4-chloro­phen­yl)-2-oxo-1,2,3,4-tetra­hydro­pyrimidine-5-carboxyl­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257316/
https://www.ncbi.nlm.nih.gov/pubmed/25484820
http://dx.doi.org/10.1107/S1600536814023046
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