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Crystal structure of 3-methyl-pyridinium picrate: a triclinic polymorph.

ABSTRACT: The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 3-methyl-pyridinium 2,4,6-tri-nitro-phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P21/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 ?-? inter-actions 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.

SUBMITTER: Gomathi J

PROVIDER: S-EPMC4647397 | biostudies-other | 2015 Oct

REPOSITORIES: biostudies-other

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Crystal structure of 3-methyl-pyridinium picrate: a triclinic polymorph.

Gomathi Jeganathan J Kalaivani Doraisamyraja D

Acta crystallographica. Section E, Crystallographic communications 20150917 Pt 10

The title mol-ecular salt, C6H8N(+)·C6H2N3O7 (-) (systematic name: 3-methyl-pyridinium 2,4,6-tri-nitro-phenolate), crystallizes in the triclinic space group P-1. The crystal structure of the monoclinic polymorph (space group P21/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, form ...[more]

PMID: 26594405

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