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Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate
The title molecular salt, C(6)H(8)N(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 2-methylpyridinium 2,4,6-trinitrophenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anions via bifurcated N—H⋯(O,O) hydrogen bonds, generating...
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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/PMC4645006/ https://www.ncbi.nlm.nih.gov/pubmed/26594559 http://dx.doi.org/10.1107/S205698901501912X |
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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: 2-methylpyridinium 2,4,6-trinitrophenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anions via bifurcated N—H⋯(O,O) hydrogen bonds, generating R (1) (2)(6) graph-set motifs. Numerous C—H⋯O hydrogen bonds are observed between these cation–anion pairs, which result in a three-dimensional network. In addition, weak aromatic π–π stacking between the 2-methylpyridinium rings [inter-centroid distance = 3.8334 (19) Å] and very weak stacking [inter-centroid distance = 4.0281 (16) Å] between inversion-related pairs of picrate anions is observed. The title salt is a second triclinic polymorph of the structure (also with Z′ = 2) reported earlier [Anita et al. (2006). Acta Cryst. C62, o567–o570; Chan et al. (2014 ▸). CrystEngComm, 16, 4508–4538]. In the title compound, the cations and anions display a chequerboard arrangement when viewed down [100], whereas in the first polymorph, (010) layers of alternating cations and anions are apparent in a [100] view. It is interesting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different. |
format | Online Article Text |
id | pubmed-4645006 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-46450062015-11-20 Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate Gomathi, Jeganathan Kalaivani, Doraisamyraja Acta Crystallogr E Crystallogr Commun Data Reports The title molecular salt, C(6)H(8)N(+)·C(6)H(2)N(3)O(7) (−) (systematic name: 2-methylpyridinium 2,4,6-trinitrophenolate), crystallizes with two cations and two anions in the asymmetric unit. In the crystal, the cations are linked to the anions via bifurcated N—H⋯(O,O) hydrogen bonds, generating R (1) (2)(6) graph-set motifs. Numerous C—H⋯O hydrogen bonds are observed between these cation–anion pairs, which result in a three-dimensional network. In addition, weak aromatic π–π stacking between the 2-methylpyridinium rings [inter-centroid distance = 3.8334 (19) Å] and very weak stacking [inter-centroid distance = 4.0281 (16) Å] between inversion-related pairs of picrate anions is observed. The title salt is a second triclinic polymorph of the structure (also with Z′ = 2) reported earlier [Anita et al. (2006). Acta Cryst. C62, o567–o570; Chan et al. (2014 ▸). CrystEngComm, 16, 4508–4538]. In the title compound, the cations and anions display a chequerboard arrangement when viewed down [100], whereas in the first polymorph, (010) layers of alternating cations and anions are apparent in a [100] view. It is interesting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different. International Union of Crystallography 2015-10-17 /pmc/articles/PMC4645006/ /pubmed/26594559 http://dx.doi.org/10.1107/S205698901501912X 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 | Data Reports Gomathi, Jeganathan Kalaivani, Doraisamyraja Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title_full | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title_fullStr | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title_full_unstemmed | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title_short | Crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
title_sort | crystal structure of a second triclinic polymorph of 2-methylpyridinium picrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4645006/ https://www.ncbi.nlm.nih.gov/pubmed/26594559 http://dx.doi.org/10.1107/S205698901501912X |
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