<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>71(Pt 11)</volume><submitter>Gomathi J</submitter><pubmed_abstract>The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 2-methyl-pyridinium 2,4,6-tri-nitro-phenolate), 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-methyl-pyridinium 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 inter-esting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different.</pubmed_abstract><journal>Acta crystallographica. Section E, Crystallographic communications</journal><pagination>o848-9</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC4645006</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Crystal structure of a second triclinic polymorph of 2-methyl-pyridinium picrate.</pubmed_title><pmcid>PMC4645006</pmcid><pubmed_authors>Kalaivani D</pubmed_authors><pubmed_authors>Gomathi J</pubmed_authors></additional><is_claimable>false</is_claimable><name>Crystal structure of a second triclinic polymorph of 2-methyl-pyridinium picrate.</name><description>The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 2-methyl-pyridinium 2,4,6-tri-nitro-phenolate), 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-methyl-pyridinium 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 inter-esting that the unit-cell lengths are almost identical for the two polymorphs, although the inter-axial angles are quite different.</description><dates><release>2015-01-01T00:00:00Z</release><publication>2015 Nov</publication><modification>2025-04-18T23:09:34.985Z</modification><creation>2019-03-27T02:01:57Z</creation></dates><accession>S-EPMC4645006</accession><cross_references><pubmed>26594559</pubmed><doi>10.1107/S205698901501912X</doi></cross_references></HashMap>