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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4647397 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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