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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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). |
format | Online Article Text |
id | pubmed-4257316 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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