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2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate
In the title molecular salt, C(4)H(6)ClN(4) (+)·C(5)H(7)O(4) (−), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H⋯O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the cr...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158549/ https://www.ncbi.nlm.nih.gov/pubmed/25249908 http://dx.doi.org/10.1107/S1600536814015220 |
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author | Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
author_facet | Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
author_sort | Edison, Bellarmin |
collection | PubMed |
description | In the title molecular salt, C(4)H(6)ClN(4) (+)·C(5)H(7)O(4) (−), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H⋯O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H⋯O hydrogen bonds with an R (2) (2)(8) ring motif. This motif further self-organizes through N—H⋯O and O—H⋯O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R (3) (2)(8), R (2) (2)(8), R (4) (2)(8), R (2) (2)(8) and R (3) (2)(8). In addition, another type of R (2) (2)(8) motif is formed by inversion-related pyrimidinium cations via N—H⋯N hydrogen bonds, forming a two-dimensional network parallel to (101). |
format | Online Article Text |
id | pubmed-4158549 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-41585492014-09-23 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title molecular salt, C(4)H(6)ClN(4) (+)·C(5)H(7)O(4) (−), the cation is essentially planar, with a maximum deviation of 0.037 (1) Å for all non-H atoms. The anions are self-assembled through O—H⋯O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H⋯O hydrogen bonds with an R (2) (2)(8) ring motif. This motif further self-organizes through N—H⋯O and O—H⋯O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R (3) (2)(8), R (2) (2)(8), R (4) (2)(8), R (2) (2)(8) and R (3) (2)(8). In addition, another type of R (2) (2)(8) motif is formed by inversion-related pyrimidinium cations via N—H⋯N hydrogen bonds, forming a two-dimensional network parallel to (101). International Union of Crystallography 2014-07-05 /pmc/articles/PMC4158549/ /pubmed/25249908 http://dx.doi.org/10.1107/S1600536814015220 Text en © Edison et al. 2014 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 Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title | 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title_full | 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title_fullStr | 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title_full_unstemmed | 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title_short | 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
title_sort | 2,6-diamino-4-chloropyrimidinium 4-carboxybutanoate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158549/ https://www.ncbi.nlm.nih.gov/pubmed/25249908 http://dx.doi.org/10.1107/S1600536814015220 |
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