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Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate

In the crystal structure of the title compound, 5-fluoro­cytosinium picrate, C(4)H(5)FN(3)O(+)·C(6)H(2)N(3)O(7) (−), one N heteroatom of the 5-fluoro­cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA(−)) anion. In the crystal, the...

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Autores principales: Mohana, Marimuthu, Thomas Muthiah, Packianathan, McMillen, Colin D.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347054/
https://www.ncbi.nlm.nih.gov/pubmed/28316809
http://dx.doi.org/10.1107/S205698901700216X
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author Mohana, Marimuthu
Thomas Muthiah, Packianathan
McMillen, Colin D.
author_facet Mohana, Marimuthu
Thomas Muthiah, Packianathan
McMillen, Colin D.
author_sort Mohana, Marimuthu
collection PubMed
description In the crystal structure of the title compound, 5-fluoro­cytosinium picrate, C(4)H(5)FN(3)O(+)·C(6)H(2)N(3)O(7) (−), one N heteroatom of the 5-fluoro­cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA(−)) anion. In the crystal, the 5FC(+) cation inter­acts with the PA(−) anion through three-centre N—H⋯O hydrogen bonds, forming two conjoined rings having R (2) (1)(6) and R (1) (2)(6) motifs, and is extended by N—H⋯O hydrogen bonds and C—H⋯O inter­actions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F⋯π inter­actions.
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spelling pubmed-53470542017-03-17 Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate Mohana, Marimuthu Thomas Muthiah, Packianathan McMillen, Colin D. Acta Crystallogr E Crystallogr Commun Research Communications In the crystal structure of the title compound, 5-fluoro­cytosinium picrate, C(4)H(5)FN(3)O(+)·C(6)H(2)N(3)O(7) (−), one N heteroatom of the 5-fluoro­cytosine (5FC) ring is protonated. The 5FC ring forms a dihedral angle of 19.97 (11)° with the ring of the picrate (PA(−)) anion. In the crystal, the 5FC(+) cation inter­acts with the PA(−) anion through three-centre N—H⋯O hydrogen bonds, forming two conjoined rings having R (2) (1)(6) and R (1) (2)(6) motifs, and is extended by N—H⋯O hydrogen bonds and C—H⋯O inter­actions into a two-dimensional sheet structure lying parallel to (001). Also present in the crystal structure are weak C—F⋯π inter­actions. International Union of Crystallography 2017-02-14 /pmc/articles/PMC5347054/ /pubmed/28316809 http://dx.doi.org/10.1107/S205698901700216X Text en © Mohana et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Mohana, Marimuthu
Thomas Muthiah, Packianathan
McMillen, Colin D.
Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title_full Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title_fullStr Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title_full_unstemmed Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title_short Crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
title_sort crystal structure and hydrogen-bonding patterns in 5-fluoro­cytosinium picrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5347054/
https://www.ncbi.nlm.nih.gov/pubmed/28316809
http://dx.doi.org/10.1107/S205698901700216X
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