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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.

Project description:In the title mol-ecular salt, C7H7N2 (+)·Br(-), all the non-H atoms lie on crystallographic mirror planes. The packing consists of (010) cation-anion layers, with the cations forming dimeric units via very weak pairwise C-H?N inter-actions. Weak C-H?Br inter-actions link the cations to the anions.

| S-EPMC4645077 | biostudies-literature

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.

| S-EPMC4647419 | biostudies-literature

3-(Ammonio-methyl)-pyridinium bis-(perchlorate).

Project description:In the title molecular salt, C6H10N2 (2+)·2ClO4 (-), the Cl-O bond lengths [anion 1: 1.369 (3)-1.415 (3); anion 2: 1.420 (2)-1.441 (2) Å] and the O-Cl-O angles [anion 1: 105.4 (2)-111.8 (4); anion 2: 107.8 (1)-110.3 (1)°] indicate a slight distortion of the perchlorate anions from regular tetra-hedral symmetry. In the crystal, the components are linked into columns along the a-axis direction via N-H⋯O and C-H⋯O hydrogen bonds, with stacks of the organic mol-ecules being surrounded by stacks of perchlorate anions.

| S-EPMC3684928 | biostudies-literature

2-Cyano-1-methyl-pyridinium nitrate.

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.

| S-EPMC3379252 | biostudies-literature

4-Cyano-1-methyl-pyridinium iodide.

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.

| S-EPMC3414965 | biostudies-literature

4-Cyano-1-methyl-pyridinium nitrate.

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.

| S-EPMC3685115 | biostudies-literature

2-Cyano-1-methyl-pyridinium iodide.

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.

| S-EPMC3793776 | biostudies-literature

4-Cyano-1-methyl-pyridinium perchlor-ate.

Project description:The title salt, C7H7N2 (+)·ClO4 (-), crystallizes with alternating cations and anions in wavy sheets, which are formed by a number of C-H?O and C-H?N hydrogen bonds, lying approximately parallel to (001).

| S-EPMC4120629 | biostudies-literature

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

Project description: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 π-π 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.

| S-EPMC4647397 | biostudies-literature

1-Methyl-4-(4-nitro-benzo-yl)pyridinium perchlorate.

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.

| S-EPMC3200796 | biostudies-literature

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