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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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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/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.
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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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