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2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1)
In the crystal of the title compound, C(6)H(9)N(3)·C(6)H(8)O(2), the 2-amino-4,6-dimethylpyrimidine and sorbic acid molecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R (2) (2)(8) graph-set motif. Further, two inversion-related p...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793739/ https://www.ncbi.nlm.nih.gov/pubmed/24109326 http://dx.doi.org/10.1107/S1600536813018175 |
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author | Gomathi, Sundaramoorthy Muthiah, Packianathan Thomas |
author_facet | Gomathi, Sundaramoorthy Muthiah, Packianathan Thomas |
author_sort | Gomathi, Sundaramoorthy |
collection | PubMed |
description | In the crystal of the title compound, C(6)H(9)N(3)·C(6)H(8)O(2), the 2-amino-4,6-dimethylpyrimidine and sorbic acid molecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R (2) (2)(8) graph-set motif. Further, two inversion-related pyrimidine molecules are base-paired via a pair of N—H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R (2) (2)(8). A discrete hetero tetrameric supramolecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic π–π interaction [centroid–centroid distance = 3.7945 (16) Å] is observed between these tetrameric units. |
format | Online Article Text |
id | pubmed-3793739 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-37937392013-10-09 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) Gomathi, Sundaramoorthy Muthiah, Packianathan Thomas Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal of the title compound, C(6)H(9)N(3)·C(6)H(8)O(2), the 2-amino-4,6-dimethylpyrimidine and sorbic acid molecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R (2) (2)(8) graph-set motif. Further, two inversion-related pyrimidine molecules are base-paired via a pair of N—H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R (2) (2)(8). A discrete hetero tetrameric supramolecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic π–π interaction [centroid–centroid distance = 3.7945 (16) Å] is observed between these tetrameric units. International Union of Crystallography 2013-07-10 /pmc/articles/PMC3793739/ /pubmed/24109326 http://dx.doi.org/10.1107/S1600536813018175 Text en © Gomathi and Muthiah 2013 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 | Organic Papers Gomathi, Sundaramoorthy Muthiah, Packianathan Thomas 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title | 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title_full | 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title_fullStr | 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title_full_unstemmed | 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title_short | 2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
title_sort | 2-amino-4,6-dimethylpyrimidine–sorbic acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3793739/ https://www.ncbi.nlm.nih.gov/pubmed/24109326 http://dx.doi.org/10.1107/S1600536813018175 |
work_keys_str_mv | AT gomathisundaramoorthy 2amino46dimethylpyrimidinesorbicacid11 AT muthiahpackianathanthomas 2amino46dimethylpyrimidinesorbicacid11 |