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2-Methyl-1,2,4-triazolo[4,3-a]pyridin-2-ium tetra-fluoroborate.

ABSTRACT: In the title salt, C7H8N3 (+)·BF4 (-), the 1,2,4-triazolo[4,3-a]pyridinium cation is planar [maximum deviation of 0.016?(2)?Å for all non-H atoms]. The cation and anion constitute a tight ionic pair with an F?N [2.911?(4)?Å] inter-molecular attractive inter-action. The ionic pairs form dimers via stacking inter-actions between inversion-related cations, the normal distance between the cation planes being 3.376?(5)?Å. The dimers are packed in stacks along the a axis and linked via C-H?F hydrogen bond, forming a three-dimensional network.

SUBMITTER: Wei S

PROVIDER: S-EPMC3772483 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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2-Methyl-1,2,4-triazolo[4,3-a]pyridin-2-ium tetra-fluoroborate.

Wei Siping S Wang Li L Wang Qin Q

Acta crystallographica. Section E, Structure reports online 20130608 Pt 7

In the title salt, C7H8N3 (+)·BF4 (-), the 1,2,4-triazolo[4,3-a]pyridinium cation is planar [maximum deviation of 0.016 (2) Å for all non-H atoms]. The cation and anion constitute a tight ionic pair with an F⋯N [2.911 (4) Å] inter-molecular attractive inter-action. The ionic pairs form dimers via stacking inter-actions between inversion-related cations, the normal distance between the cation planes being 3.376 (5) Å. The dimers are packed in stacks along the a axis and linked via C-H⋯F hydrogen ...[more]

PMID: 24046626

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