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(E,E)-1-Methyl-2,6-distyrylpyridinium iodide.

ABSTRACT: In the title compound, C(22)H(20)N(+)·I(-), the dihedral angles between the central pyridine ring and two outer benzene rings are 15.30 (10) and 11.82 (11)°. There are inter-molecular π-π stacking inter-actions between the nearest phenyl ring over an inversion-related pyridyl ring, the shortest centroid-centroid distance being 3.672 (3) Å. The crystal structure of the compound indicates the 2,6-distyryl substituents have an E configuration.

SUBMITTER: Penthala NR

PROVIDER: S-EPMC3006972 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Crystal structures of 2,6-bis-[(1H-1,2,4-triazol-1-yl)meth-yl]pyridine and 1,1-[pyridine-2,6-diylbis(methyl-ene)]bis-(4-methyl-1H-1,2,4-triazol-4-ium) iodide triiodide.

Project description:In the structures of the 2,6-bis-(1,2,4-triazoly-3-yl)methyl-substituted pyridine compound, C11H11N7, (I) and the iodide triiodide salt, C13H17N7 (2+)·I(-)·I3 (-), (II), the dihedral angles between the two triazole rings and the pyridine ring are 66.4 (1) and 74.6 (1)° in (I), and 68.4 (2)° in (II), in which the dication lies across a crystallographic mirror plane. The overall packing structure for (I) is two-dimensional with the layers lying parallel to the (001) plane. In (II), the triiodide anion lies within the mirror plane, occupying the space between the two triazole substituent groups and was found to have minor disorder [occupancy ratio 0.9761 (9):0.0239 (9)]. The overall packing of structure (II) can be described as two-dimensional with the layers stacking parallel to the (001) plane. In the crystal, the predominant inter-molecular inter-actions in (I) and (II) involve the acidic hydrogen atom in the third position of the triazole ring, with either the triazole N-atom acceptor in weak C-H⋯N hydrogen bonds in (I), or with halide counter-ions through C-H⋯I inter-actions, in (II).

| S-EPMC4384632 | biostudies-literature

Crystal structure of hepta-kis-(2,6-di-methyl-phenyl isocyanide-?C)vanadium(I) iodide.

Project description:The title salt, [V(C9H9N)7](+)I(-) or [V(CNX-yl)7](+)I(-) (Xyl is 2,6-di-methyl-phen-yl), crystallized from tetra-hydro-furan at low temperatures after reacting (Et4N)(+)[V(CO)6](-), excess of CNXyl and iodine. The complex cation and the two crystallographically different iodide anions, each located on a different glide plane, are well separated in the crystal structure. The V(CN)7 core of the cation has the form of a distorted monocapped trigonal prism. This compound is of inter-est as the first isolable homoleptic seven-coordinate vanadium analog of the 18-electron [V(CO)7](+) monocation.

| S-EPMC4438829 | biostudies-other

(E)-1-Methyl-2-styrylpyridinium iodide.

Project description:In the title compound, C(14)H(14)N(+)·I(-), the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted, the inter-planar angle between the pyridinium and phenyl rings of the cation being 4.8?(2)°. In the crystal packing, the cations are stacked in an anti-parallel fashion along the a axis by a ?-? inter-action involving both pyridinium and phenyl rings; the centroid-centroid distance is 3.542?(3)?Å. Each iodide ion is sandwiched between two cations. The cations and iodide anions are linked together by weak C-H?I inter-actions, giving rise to ladder-like ribbons along the a axis.

| S-EPMC2977224 | 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 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

1-Methyl-2,6-cis-distyrylpiperidine.

Project description:The complete molecule of the title compound, C(22)H(25)N, is generated by crystallographic mirror symmetry, with two C atoms and the N atom lying on the mirror plane. The central ring adopts a chair conformation and the dihedral angle between the aromatic rings is 56.69?(4)°.

| S-EPMC2980188 | biostudies-literature

(E)-1-Methyl-4-styrylpyridinium iodide monohydrate.

Project description:In the title compound, C(14)H(14)N(+)·I(-)·H(2)O, the cation is essentially planar, with a dihedral angle of 2.55?(7)° between the pyridinium and phenyl rings, and exists in an E configuration with respect to the ethenyl bond. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis. The cation is linked to the water mol-ecule by a weak C-H?O inter-action, and the water mol-ecule is further linked to the I(-) ion by O-H?I hydrogen bonds. The crystal structure is consolidated by these inter-actions and is further stabilized by a ?-? inter-action between the pyridinium and phenyl rings with a centroid-centroid distance of 3.6850?(8)?Å.

| S-EPMC2971221 | biostudies-literature

1-Methyl-4-(1-methyl-1H-benzimidazol-2-yl)pyridinium iodide.

Project description:The cation of the title compound, C(14)H(14)N(3) (+)·I(-), is non-planar, the dihedral angle between the benzimidazole and the 1-methyl-pyridinium planes being 37.4?(2)°. The crystal structure is stabilized by weak ?-? stacking inter-actions, the centroid-centroid distances between 1-methyl-imidazole and benzimidazole planes being 3.678?(4)?Å.

| S-EPMC2980206 | biostudies-literature

2,6-Di-bromo-4-methyl-aniline.

Project description:In the title compound, C7H7Br2N, the C-C-C bond angles of the benzene ring are notably distorted and two short intamolecular N-H⋯Br contacts occur. In the crystal, the mol-ecules are linked by N-H⋯N hydrogen bonds to generate C(2) chains propagating in the [100] direction.

| S-EPMC9462035 | biostudies-literature

2,6-Dichloro-phenyl 4-methyl-benzoate.

Project description:The structure of the title compound (26DCP4MeBA), C(14)H(10)Cl(2)O(2), resembles those of phenyl benzoate (PBA), 2,6-dichloro-phenyl benzoate (26DCPBA), 2,4-dichloro-phenyl 4-methyl-benzoate (24DCP4MeBA) and other aryl benzoates, with similar bond parameters. The dihedral angle between the benzene and benzoyl rings in 26DCP4MeBA is 77.97 (9)°, compared with values of 55.7 (PBA), 75.75 (10) (26DCPBA) and 48.13 (5)° (24DCP4MeBA). The mol-ecules in the title compound are packed into zigzag chains in the bc plane.

| S-EPMC2961242 | biostudies-literature

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