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4-Cyano-1-methyl-pyridinium bromide.

ABSTRACT: In the crystal of the title mol-ecular salt, C(7)H(7)N(2) (+)·Br(-), the cations form inversion dimers via weak pairwise C-H?N hydrogen bonds; their mean planes are separated by 0.292?(6)?Å. Weak C-H?Br inter-actions involving all of the remaining H atoms tie the cations and anions together into sets of inter-penetrating sheets. The title compound is isostructural with its iodide analogue.

SUBMITTER: Kammer MN

PROVIDER: S-EPMC3414330 | biostudies-other | 2012 Aug

REPOSITORIES: biostudies-other

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4-Cyano-1-methyl-pyridinium bromide.

Kammer Michael N MN Mague Joel T JT Koplitz Lynn V LV

Acta crystallographica. Section E, Structure reports online 20120710 Pt 8

In the crystal of the title mol-ecular salt, C(7)H(7)N(2) (+)·Br(-), the cations form inversion dimers via weak pairwise C-H⋯N hydrogen bonds; their mean planes are separated by 0.292 (6) Å. Weak C-H⋯Br inter-actions involving all of the remaining H atoms tie the cations and anions together into sets of inter-penetrating sheets. The title compound is isostructural with its iodide analogue. ...[more]

PMID: 22904863

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Project description:In the title compound, C(7)H(7)N(2) (+)·NO(3) (-), all atoms except the methyl H atoms lie on a crystallographic mirror plane. The inter-layer distance, including that between aligned N atoms from alternating cations and anions in adjacent layers, is exceptionally short at 3.055?(1)?Å. Two-dimensional C-H?O hydrogen-bonded networks link cations to anions, while C-H?N inter-actions link cations within each layer. Anion-? inter-actions with the cations assist in binding the layers together.

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Project description:The cation in the title compound, C7H7N2 (+)·I(-), is planar (r.m.s. deviation for the nine fitted non-H atoms = 0.040?Å). The crystal packing is best described as undulating layers of cations and anions associated via C-H?I inter-actions.

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Project description:The title mol-ecular salt, C7H7N2 (+)·NO3 (-), displays an inter-penetrating sheet structure parallel to a with each sheet containing nearly coplanar cations and anions, each ion being bis-ected by a crystallographic mirror plane. C-H⋯O hydrogen bonds involving both ring and methyl H atoms in addition to cation-cation C-H⋯N hydrogen bonds (ring H to cyano N) serve to link the sheets together. In each set of parallel layers, the cations and anions stack with short distances of 3.094 (2) (between aligned nitrate N and pyridine N atoms) and 3.057 (2) Å (between a nitrate O atom and the ring centroid). This motif is strikingly similar to the one that features in the isomeric salt 2-cyano-1-methyl-pyridinium nitrate.

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