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Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(17)H(21)ClN(2)O(6), the dihydropyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and dihydropyrimidine rings is 88.09 (6)°. An intramolecular C...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518964/ https://www.ncbi.nlm.nih.gov/pubmed/26279876 http://dx.doi.org/10.1107/S2056989015011688 |
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author | Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan |
author_facet | Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan |
author_sort | Suresh, M. |
collection | PubMed |
description | In the title compound, C(17)H(21)ClN(2)O(6), the dihydropyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and dihydropyrimidine rings is 88.09 (6)°. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring. 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, and the dimers are linked via further pairs of N—H⋯O hydrogen bonds, forming R (2) (2)(14) rings and chains of molecules along [111]. Pairs of inversion-related chains are linked via weak C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-4518964 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189642015-08-14 Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(17)H(21)ClN(2)O(6), the dihydropyrimidine ring adopts a flattened envelope conformation, with the sp (3)-hybridized C atom forming the flap. The dihedral angle between the least-squares planes of the benzene and dihydropyrimidine rings is 88.09 (6)°. An intramolecular C—H⋯O hydrogen bond generates an S(6) ring. 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, and the dimers are linked via further pairs of N—H⋯O hydrogen bonds, forming R (2) (2)(14) rings and chains of molecules along [111]. Pairs of inversion-related chains are linked via weak C—H⋯π interactions. International Union of Crystallography 2015-06-20 /pmc/articles/PMC4518964/ /pubmed/26279876 http://dx.doi.org/10.1107/S2056989015011688 Text en © Suresh et al. 2015 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 | Research Communications Suresh, M. Padusha, M. Syed Ali Novina, J. Josephine Vasuki, G. Viswanathan, Vijayan Velmurugan, Devadasan Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title | Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full | Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_fullStr | Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_full_unstemmed | Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_short | Crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
title_sort | crystal structure of ethyl 6-chloromethyl-2-oxo-4-(2,3,4-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518964/ https://www.ncbi.nlm.nih.gov/pubmed/26279876 http://dx.doi.org/10.1107/S2056989015011688 |
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