Cargando…

Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate

In the title compound, 2C(5)H(6)BrN(2) (+)·C(4)H(2)O(4) (2−)·2H(2)O, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is approximately planar, with a maximum deviation of 0.036 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the...

Descripción completa

Detalles Bibliográficos
Autores principales: Quah, Ching Kheng, Hemamalini, Madhukar, Fun, Hoong-Kun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007988/
https://www.ncbi.nlm.nih.gov/pubmed/21588616
http://dx.doi.org/10.1107/S1600536810030989
_version_ 1782194475359010816
author Quah, Ching Kheng
Hemamalini, Madhukar
Fun, Hoong-Kun
author_facet Quah, Ching Kheng
Hemamalini, Madhukar
Fun, Hoong-Kun
author_sort Quah, Ching Kheng
collection PubMed
description In the title compound, 2C(5)H(6)BrN(2) (+)·C(4)H(2)O(4) (2−)·2H(2)O, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is approximately planar, with a maximum deviation of 0.036 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the attached plane; the dihedral angle between carboxyl­ate and (E)-but-2-ene planes is 6.11 (14)°. In the crystal, the carboxyl­ate O atoms form bifurcated (N—H⋯O and C—H⋯O) and N—H⋯O hydrogen bonds with the cations. The crystal packing is stabilized by R (2) (2)(8) ring motifs which are generated by pairs of N—H⋯O hydrogen bonds. The crystal structure is further consolidated by water mol­ecules via O(water)—H⋯O and N—H⋯O(water) hydrogen bonds. The components are linked by these inter­actions into three-dimensional network.
format Text
id pubmed-3007988
institution National Center for Biotechnology Information
language English
publishDate 2010
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-30079882010-12-30 Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate Quah, Ching Kheng Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, 2C(5)H(6)BrN(2) (+)·C(4)H(2)O(4) (2−)·2H(2)O, the complete fumarate dianion is generated by crystallographic inversion symmetry. The cation is approximately planar, with a maximum deviation of 0.036 (1) Å. In the anion, the carboxyl­ate group is twisted slightly away from the attached plane; the dihedral angle between carboxyl­ate and (E)-but-2-ene planes is 6.11 (14)°. In the crystal, the carboxyl­ate O atoms form bifurcated (N—H⋯O and C—H⋯O) and N—H⋯O hydrogen bonds with the cations. The crystal packing is stabilized by R (2) (2)(8) ring motifs which are generated by pairs of N—H⋯O hydrogen bonds. The crystal structure is further consolidated by water mol­ecules via O(water)—H⋯O and N—H⋯O(water) hydrogen bonds. The components are linked by these inter­actions into three-dimensional network. International Union of Crystallography 2010-08-11 /pmc/articles/PMC3007988/ /pubmed/21588616 http://dx.doi.org/10.1107/S1600536810030989 Text en © Quah et al. 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
Quah, Ching Kheng
Hemamalini, Madhukar
Fun, Hoong-Kun
Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title_full Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title_fullStr Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title_full_unstemmed Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title_short Bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
title_sort bis(2-amino-5-bromo­pyridinium) fumarate dihydrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007988/
https://www.ncbi.nlm.nih.gov/pubmed/21588616
http://dx.doi.org/10.1107/S1600536810030989
work_keys_str_mv AT quahchingkheng bis2amino5bromopyridiniumfumaratedihydrate
AT hemamalinimadhukar bis2amino5bromopyridiniumfumaratedihydrate
AT funhoongkun bis2amino5bromopyridiniumfumaratedihydrate