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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...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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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 |
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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 |
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