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Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph

The title mol­ecular salt, C(6)H(8)N(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 3-methyl­pyridinium 2,4,6-tri­nitro­phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P2(1)/n) has been reported [Stilinovic & Kaitner (2011 ▸)....

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Autores principales: Gomathi, Jeganathan, Kalaivani, Doraisamyraja
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647397/
https://www.ncbi.nlm.nih.gov/pubmed/26594405
http://dx.doi.org/10.1107/S2056989015017090
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author Gomathi, Jeganathan
Kalaivani, Doraisamyraja
author_facet Gomathi, Jeganathan
Kalaivani, Doraisamyraja
author_sort Gomathi, Jeganathan
collection PubMed
description The title mol­ecular salt, C(6)H(8)N(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 3-methyl­pyridinium 2,4,6-tri­nitro­phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P2(1)/n) has been reported [Stilinovic & Kaitner (2011 ▸). Cryst. Growth Des. 11, 4110–4119]. In the crystal, the anion and cation are linked via bifurcated N—H⋯(O,O) hydrogen bonds, enclosing an R (1) (2)(6) graph-set motif. These units are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework. Within the framework there are π–π inter­actions present, involving inversion-related picrate anions and inversion-related pyridinium cations, with inter-centroid distances of 3.7389 (14) and 3.560 (2) Å, respectively.
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spelling pubmed-46473972015-11-20 Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph Gomathi, Jeganathan Kalaivani, Doraisamyraja Acta Crystallogr E Crystallogr Commun Research Communications The title mol­ecular salt, C(6)H(8)N(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 3-methyl­pyridinium 2,4,6-tri­nitro­phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P2(1)/n) has been reported [Stilinovic & Kaitner (2011 ▸). Cryst. Growth Des. 11, 4110–4119]. In the crystal, the anion and cation are linked via bifurcated N—H⋯(O,O) hydrogen bonds, enclosing an R (1) (2)(6) graph-set motif. These units are linked via C—H⋯O hydrogen bonds, forming a three-dimensional framework. Within the framework there are π–π inter­actions present, involving inversion-related picrate anions and inversion-related pyridinium cations, with inter-centroid distances of 3.7389 (14) and 3.560 (2) Å, respectively. International Union of Crystallography 2015-09-17 /pmc/articles/PMC4647397/ /pubmed/26594405 http://dx.doi.org/10.1107/S2056989015017090 Text en © Gomathi and Kalaivani 2015 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 Research Communications
Gomathi, Jeganathan
Kalaivani, Doraisamyraja
Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title_full Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title_fullStr Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title_full_unstemmed Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title_short Crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
title_sort crystal structure of 3-methyl­pyridinium picrate: a triclinic polymorph
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647397/
https://www.ncbi.nlm.nih.gov/pubmed/26594405
http://dx.doi.org/10.1107/S2056989015017090
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