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Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate
In the title compound, C(17)H(22)N(2)O(6), the dihydropyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the dihydropyrimidine ring is 75.25 (6)°. In the crystal, molecules are linked via pairs of N—H⋯O hydrogen bonds, forming...
| 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/PMC4350754/ https://www.ncbi.nlm.nih.gov/pubmed/25844251 http://dx.doi.org/10.1107/S2056989015003576 |
| _version_ | 1782360233863020544 |
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| author | Novina, J. J. Vasuki, G. Suresh, M. Padusha, M. Syed Ali |
| author_facet | Novina, J. J. Vasuki, G. Suresh, M. Padusha, M. Syed Ali |
| author_sort | Novina, J. J. |
| collection | PubMed |
| description | In the title compound, C(17)H(22)N(2)O(6), the dihydropyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the dihydropyrimidine ring is 75.25 (6)°. 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 which are linked through N—H⋯O and weak C—H⋯O hydrogen bonds. These, together with π–π ring interactions [centroid–centroid distance = 3.7965 (10) Å], give an overall three-dimensional structure. |
| format | Online Article Text |
| id | pubmed-4350754 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-43507542015-04-03 Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate Novina, J. J. Vasuki, G. Suresh, M. Padusha, M. Syed Ali Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(17)H(22)N(2)O(6), the dihydropyrimidine ring adopts a flattened boat conformation. The dihedral angle between the benzene ring and the mean plane of the dihydropyrimidine ring is 75.25 (6)°. 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 which are linked through N—H⋯O and weak C—H⋯O hydrogen bonds. These, together with π–π ring interactions [centroid–centroid distance = 3.7965 (10) Å], give an overall three-dimensional structure. International Union of Crystallography 2015-02-25 /pmc/articles/PMC4350754/ /pubmed/25844251 http://dx.doi.org/10.1107/S2056989015003576 Text en © Novina 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 | Data Reports Novina, J. J. Vasuki, G. Suresh, M. Padusha, M. Syed Ali Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title | Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full | Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_fullStr | Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_full_unstemmed | Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_short | Crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| title_sort | crystal structure of ethyl 6-methyl-2-oxo-4-(3,4,5-trimethoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| topic | Data Reports |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350754/ https://www.ncbi.nlm.nih.gov/pubmed/25844251 http://dx.doi.org/10.1107/S2056989015003576 |
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