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Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate
In the title salt, C(6)H(10)N(3)O(2) (+)·C(5)H(3)O(2)S(−), the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the carboxylate group of the thiophene-2-carboxylate anion through a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. These motifs are centrosymmetrically pa...
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/PMC4518905/ https://www.ncbi.nlm.nih.gov/pubmed/26279918 http://dx.doi.org/10.1107/S2056989015010907 |
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author | Rajam, Ammaiyappan Muthiah, P.T. Butcher, Ray J. Jasinski, Jerry P. |
author_facet | Rajam, Ammaiyappan Muthiah, P.T. Butcher, Ray J. Jasinski, Jerry P. |
author_sort | Rajam, Ammaiyappan |
collection | PubMed |
description | In the title salt, C(6)H(10)N(3)O(2) (+)·C(5)H(3)O(2)S(−), the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the carboxylate group of the thiophene-2-carboxylate anion through a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. These motifs are centrosymmetrically paired via N—H⋯O hydrogen bonds, forming a complementary DDAA array. The separate DDAA arrays are linked by π–π stacking interactions between the pyrimidine rings, as well as by a number of weak C—H⋯O and N—H⋯O interactions. In the anion, the dihedral angle between the ring plane and the CO(2) group is 11.60 (3)°. In the cation, the C atoms of methoxy groups deviate from the ring plane by 0.433 (10) Å. |
format | Online Article Text |
id | pubmed-4518905 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-45189052015-08-14 Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate Rajam, Ammaiyappan Muthiah, P.T. Butcher, Ray J. Jasinski, Jerry P. Acta Crystallogr E Crystallogr Commun Data Reports In the title salt, C(6)H(10)N(3)O(2) (+)·C(5)H(3)O(2)S(−), the 2-amino-4,6-dimethoxypyrimidinium cation interacts with the carboxylate group of the thiophene-2-carboxylate anion through a pair of N—H⋯O hydrogen bonds, forming an R (2) (2)(8) ring motif. These motifs are centrosymmetrically paired via N—H⋯O hydrogen bonds, forming a complementary DDAA array. The separate DDAA arrays are linked by π–π stacking interactions between the pyrimidine rings, as well as by a number of weak C—H⋯O and N—H⋯O interactions. In the anion, the dihedral angle between the ring plane and the CO(2) group is 11.60 (3)°. In the cation, the C atoms of methoxy groups deviate from the ring plane by 0.433 (10) Å. International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518905/ /pubmed/26279918 http://dx.doi.org/10.1107/S2056989015010907 Text en © Rajam 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 Rajam, Ammaiyappan Muthiah, P.T. Butcher, Ray J. Jasinski, Jerry P. Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title | Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title_full | Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title_fullStr | Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title_full_unstemmed | Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title_short | Crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
title_sort | crystal structure of 2-amino-4,6-dimethoxypyrimidinium thiophene-2-carboxylate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518905/ https://www.ncbi.nlm.nih.gov/pubmed/26279918 http://dx.doi.org/10.1107/S2056989015010907 |
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