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Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1)
In the crystal structure of the title compound, C(6)H(9)N(2) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(6)O(4), the fumarate dianion and fumaric acid molecule are located on inversion centres. The 2-amino-5-methylpyrimidinium cation interacts with the carboxylate group of the fumarate anion through a pai...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007292/ https://www.ncbi.nlm.nih.gov/pubmed/21588388 http://dx.doi.org/10.1107/S1600536810027960 |
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author | Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Hemamalini, Madhukar |
collection | PubMed |
description | In the crystal structure of the title compound, C(6)H(9)N(2) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(6)O(4), the fumarate dianion and fumaric acid molecule are located on inversion centres. The 2-amino-5-methylpyrimidinium cation interacts with the carboxylate group of the fumarate 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 carboxyl groups of the fumaric acid molecules and the carboxylate groups of the fumarate anions are hydrogen bonded through O—H⋯O hydrogen bonds, leading to a supramolecular chain along [101]. The crystal structure is further stabilized by weak C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-3007292 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30072922010-12-30 Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(6)H(9)N(2) (+)·0.5C(4)H(2)O(4) (2−)·0.5C(4)H(6)O(4), the fumarate dianion and fumaric acid molecule are located on inversion centres. The 2-amino-5-methylpyrimidinium cation interacts with the carboxylate group of the fumarate 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 carboxyl groups of the fumaric acid molecules and the carboxylate groups of the fumarate anions are hydrogen bonded through O—H⋯O hydrogen bonds, leading to a supramolecular chain along [101]. The crystal structure is further stabilized by weak C—H⋯O hydrogen bonds. International Union of Crystallography 2010-07-24 /pmc/articles/PMC3007292/ /pubmed/21588388 http://dx.doi.org/10.1107/S1600536810027960 Text en © Hemamalini and Fun 2010 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 Hemamalini, Madhukar Fun, Hoong-Kun Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title | Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title_full | Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title_fullStr | Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title_full_unstemmed | Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title_short | Bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
title_sort | bis(2-amino-5-methylpyridinium) fumarate–fumaric acid (1/1) |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007292/ https://www.ncbi.nlm.nih.gov/pubmed/21588388 http://dx.doi.org/10.1107/S1600536810027960 |
work_keys_str_mv | AT hemamalinimadhukar bis2amino5methylpyridiniumfumaratefumaricacid11 AT funhoongkun bis2amino5methylpyridiniumfumaratefumaricacid11 |