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Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate

The asymmetric unit of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate, C(5)H(6)BrN(2) (+)·C(7)HF(4)O(2) (−), contains one pyridinium cation and one benzoate anion. In the crystal, the amino­pyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms i...

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Autor principal: Bosch, Eric
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362662/
https://www.ncbi.nlm.nih.gov/pubmed/30800468
http://dx.doi.org/10.1107/S2056989019001294
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author Bosch, Eric
author_facet Bosch, Eric
author_sort Bosch, Eric
collection PubMed
description The asymmetric unit of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate, C(5)H(6)BrN(2) (+)·C(7)HF(4)O(2) (−), contains one pyridinium cation and one benzoate anion. In the crystal, the amino­pyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms in an R (2) (2)(8) motif. Two pyridinium benzoate units are hydrogen bonded through self-complementary hydrogen bonds between the second amine hydrogen and a carboxyl­ate O with a second R (2) (2)(8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromo­pyridinium moieties and two 2,3,5,6-tetra­fluoro­benzoate moieties. The 2-amino-6-bromo­pyridinium moieties π-stack in a head-to-tail mode with a centroid–centroid separation of 3.7227 (12) Å and adjacent tetra­fluoro­benzoates also π-stack in a head-to-tail mode with a centroid–centroid separation of 3.6537 (13) Å.
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spelling pubmed-63626622019-02-22 Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate Bosch, Eric Acta Crystallogr E Crystallogr Commun Research Communications The asymmetric unit of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate, C(5)H(6)BrN(2) (+)·C(7)HF(4)O(2) (−), contains one pyridinium cation and one benzoate anion. In the crystal, the amino­pyridinium cationic unit forms two hydrogen bonds to the benzoate oxygen atoms in an R (2) (2)(8) motif. Two pyridinium benzoate units are hydrogen bonded through self-complementary hydrogen bonds between the second amine hydrogen and a carboxyl­ate O with a second R (2) (2)(8) motif to form a discrete hydrogen-bonded complex containing two 2-amino-6-bromo­pyridinium moieties and two 2,3,5,6-tetra­fluoro­benzoate moieties. The 2-amino-6-bromo­pyridinium moieties π-stack in a head-to-tail mode with a centroid–centroid separation of 3.7227 (12) Å and adjacent tetra­fluoro­benzoates also π-stack in a head-to-tail mode with a centroid–centroid separation of 3.6537 (13) Å. International Union of Crystallography 2019-01-31 /pmc/articles/PMC6362662/ /pubmed/30800468 http://dx.doi.org/10.1107/S2056989019001294 Text en © Eric Bosch 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Bosch, Eric
Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title_full Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title_fullStr Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title_full_unstemmed Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title_short Crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
title_sort crystal structure of the co-crystal salt 2-amino-6-bromo­pyridinium 2,3,5,6-tetra­fluoro­benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6362662/
https://www.ncbi.nlm.nih.gov/pubmed/30800468
http://dx.doi.org/10.1107/S2056989019001294
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