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Crystal structure of 2-cyano-1-methyl-pyridinium perchlorate.

ABSTRACT: The asymmetric unit of the title salt, C7H7N2 (+)·ClO4 (-), comprises two independent formula units. The solid-state structure comprises corrugated layers of cations and of anions, approximately parallel to (010). The supra-molecular layers are stabilized and connected by C-H?O hydrogen bonding to consolidate a three-dimensional architecture. A close pyridin-ium-perchlorate N?O contact [2.867?(5)?Å] is noted. The crystal was refined as an inversion twin.

SUBMITTER: Nguyen VD

PROVIDER: S-EPMC4645073 | biostudies-literature | 2015 Nov

REPOSITORIES: biostudies-literature

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Crystal structure of 2-cyano-1-methyl-pyridinium perchlorate.

Nguyen Vu D VD McCormick Cameron A CA Mague Joel T JT Koplitz Lynn V LV

Acta crystallographica. Section E, Crystallographic communications 20151017 Pt 11

The asymmetric unit of the title salt, C7H7N2 (+)·ClO4 (-), comprises two independent formula units. The solid-state structure comprises corrugated layers of cations and of anions, approximately parallel to (010). The supra-molecular layers are stabilized and connected by C-H⋯O hydrogen bonding to consolidate a three-dimensional architecture. A close pyridin-ium-perchlorate N⋯O contact [2.867 (5) Å] is noted. The crystal was refined as an inversion twin. ...[more]

PMID: 26594561

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Crystal structure of 2-cyano-1-methyl-pyridinium bromide.

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Crystal structure of 2-cyano-1-methyl-pyridinium tetra-fluoro-borate.

Project description:The asymmetric unit of the title salt, C7H7N2 (+)·BF4 (-), comprises two independent but nearly identical formula units. The solid-state structure comprises corrugated layers of cations and anions, formed by C-H?F hydrogen bonding, that are approximately parallel to (010). Further C-H?F hydrogen bonding consolidates the three-dimensional architecture. The sample was refined as a two-component non-merohedral twin.

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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:In the crystal structure of the title compound, C(7)H(7)N(2) (+)·I(-), the cations form inversion-related dimers via weak pairwise C-H⋯N hydrogen bonds. In the dimers, the pyridinium rings are parallel to one another with their mean planes separated by a normal distance of ca 0.28 Å. Weak C-H⋯N inter-actions between adjacent dimers generate a layer lying parallel to (10-1). The remaining H atoms form C-H⋯I inter-actions, which link the layers into a three-dimensional structure.

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Project description:In the main mol-ecule of the title compound, C(13)H(11)N(2)O(3) (+)·ClO(4) (-), the two aromatic rings are twisted by 56.19?(3)° relative to each other and the nitro group is not coplanar with the benzene ring [36.43?(4)°]. The crystal packing is dominated by infinite aromatic stacks in the a-axis direction. These are formed by the benzene units of the mol-ecule featuring an alternating arrangement, which explains the two different distances of 3.3860?(4) and 3.4907?(4)?Å for the aromatic units (these are the perpendicular distances of the centroid of one aromatic ring on the mean plane of the other other aromatic ring). Adjacent stacks are connected by ?-? stacking between two pyridinium units [3.5949?(4)?Å] and weak C-H?O inter-actions. The perchlorate anions are accomodated in the lattice voids connected to the cation via weak C-H?O contacts between the O atoms of the anion and various aromatic as well as methyl H atoms.

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4-Cyano-1-methyl-pyridinium bromide.

Project description: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.

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