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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...

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Autores principales: Rajam, Ammaiyappan, Muthiah, P.T., Butcher, Ray J., Jasinski, Jerry P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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