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(E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis
In the title compound, C(18)H(20)N(2)O(7), the dihedral angle between the aromatic rings is 7.28 (7)° and the almost planar conformation of the molecule is supported by an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds and aromatic π–π stac...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598848/ https://www.ncbi.nlm.nih.gov/pubmed/28932436 http://dx.doi.org/10.1107/S2056989017010374 |
| _version_ | 1783263982471086080 |
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| author | Soto-Monsalve, Mónica Romero, Elkin L. Zuluaga, Fabio Chaur, Manuel N. D’Vries, Richard F. |
| author_facet | Soto-Monsalve, Mónica Romero, Elkin L. Zuluaga, Fabio Chaur, Manuel N. D’Vries, Richard F. |
| author_sort | Soto-Monsalve, Mónica |
| collection | PubMed |
| description | In the title compound, C(18)H(20)N(2)O(7), the dihedral angle between the aromatic rings is 7.28 (7)° and the almost planar conformation of the molecule is supported by an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds and aromatic π–π stacking link the molecules into a three-dimensional network. A Hirshfeld surface analysis showed that the major contribution to the intermolecular interactions are van der Waals interactions (H⋯H contacts), accounting for 48.4% of the surface. |
| format | Online Article Text |
| id | pubmed-5598848 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-55988482017-09-20 (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis Soto-Monsalve, Mónica Romero, Elkin L. Zuluaga, Fabio Chaur, Manuel N. D’Vries, Richard F. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(18)H(20)N(2)O(7), the dihedral angle between the aromatic rings is 7.28 (7)° and the almost planar conformation of the molecule is supported by an intramolecular O—H⋯O hydrogen bond, which closes an S(6) ring. In the crystal, weak C—H⋯O hydrogen bonds and aromatic π–π stacking link the molecules into a three-dimensional network. A Hirshfeld surface analysis showed that the major contribution to the intermolecular interactions are van der Waals interactions (H⋯H contacts), accounting for 48.4% of the surface. International Union of Crystallography 2017-07-18 /pmc/articles/PMC5598848/ /pubmed/28932436 http://dx.doi.org/10.1107/S2056989017010374 Text en © Soto-Monsalve et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
| spellingShingle | Research Communications Soto-Monsalve, Mónica Romero, Elkin L. Zuluaga, Fabio Chaur, Manuel N. D’Vries, Richard F. (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title | (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title_full | (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title_fullStr | (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title_full_unstemmed | (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title_short | (E)-5-[1-Hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and Hirshfeld surface analysis |
| title_sort | (e)-5-[1-hydroxy-3-(3,4,5-trimethoxyphenyl)allylidene]-1,3-dimethylpyrimidine-2,4,6-trione: crystal structure and hirshfeld surface analysis |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598848/ https://www.ncbi.nlm.nih.gov/pubmed/28932436 http://dx.doi.org/10.1107/S2056989017010374 |
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