Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Edison, Bellarmin, Balasubramani, Kasthuri, Thanigaimani, Kaliyaperumal, Khalib, Nuridayanti Che, Arshad, Suhana, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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
_version_ 1782334073294815232
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
work_keys_str_mv AT edisonbellarmin 26diamino4chloropyrimidinium4carboxybutanoate
AT balasubramanikasthuri 26diamino4chloropyrimidinium4carboxybutanoate
AT thanigaimanikaliyaperumal 26diamino4chloropyrimidinium4carboxybutanoate
AT khalibnuridayantiche 26diamino4chloropyrimidinium4carboxybutanoate
AT arshadsuhana 26diamino4chloropyrimidinium4carboxybutanoate
AT razakibrahimabdul 26diamino4chloropyrimidinium4carboxybutanoate