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(E)-1-Methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium 4-chloro-benzene-sulfonate.

ABSTRACT: In the title compound, C(18)H(16)N(+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the central C=C bond. The naphthalene ring system is slightly bent, the dihedral angle between the two aromatic rings being 3.71 (14)°. The whole cation is twisted, the dihedral angles between the pyridinium and the two aromatic rings of the naphthalene ring system being 47.44 (14) and 50.81 (14)°. The pyridinium ring and the benzene ring of the anion are inclined to each other at a dihedral angle of 68.21 (13)°. In the crystal structure, the cations and anions are arranged alternately with the cations stacked in an anti-parallel manner along the c axis and the anions linked into chains along the same direction. The cations are linked to the anions by weak C-H⋯O inter-actions, forming a three-dimensional network. The crystal structure is further stabilized by C-H⋯π inter-actions and π-π contacts with centroid-centroid distances of 3.6374 (16) and 3.6733 (17) Å. A short Cl⋯O contact [3.108 (2) Å] is also present.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC2971983 | biostudies-literature |

REPOSITORIES: biostudies-literature

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(E)-1-Methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(18)H(16)N(+)·C(6)H(4)BrO(3)S(-), the cation exists in the E configuration and the whole mol-ecule of the cation is disordered with a refined site-occupancy ratio of 0.733 (1):0.267 (1). The naphthalene system is not planar, the inter-planar angle between the two aromatic rings being 5.0 (5)° for the major component and 5.7 (10)° for the minor component. The cation is twisted with dihedral angles between the pyridinium ring and the two aromatic rings of the naphthalene system of 56.3 (5) and 51.4 (5)° (for the major component) and 52.2 (11) and 53.4 (11)° (for the minor component). The pyridinium ring and the benzene ring of the anion are inclined to each other at inter-planar angles of 85.0 (4) and 71.5 (9)° for the major and minor components, respectively. In the crystal packing, the cations and anions are alternately arranged with the cations stacked in an anti-parallel manner along the c axis and the anions linked together into chains along the same direction. The cations are linked to the anions into chains along [102] by weak C-H⋯O inter-actions. The crystal structure is further stabilized by C-H⋯π inter-actions and π-π contacts, with Cg⋯Cg distances of 3.502 (9) and 3.698 (6) Å. A short Br⋯O contact [3.029 (4) Å] is also present.

| S-EPMC2977813 | biostudies-literature

(E)-1-Methyl-4-[2-(2-naphth-yl)vin-yl]pyridinium iodide.

Project description:In the title compound, C(18)H(16)N(+)·I(-), the cation is disordered over two orientations related by a 180° rotation about its long axis with occupancies of 0.554 (7) and 0.446 (7). Both disorder components exist in an E configuration. The dihedral angle between the pyridinium ring and the naphthalene ring system is 4.7 (6)° in the major disorder component and 1.6 (8)° in the minor component. In the crystal structure, centrosymmetrically related cations are stacked along the a axis, with significant π-π inter-actions between the pyridinium ring and the naphthalene ring system [centroid-centroid distance = 3.442 (9) Å]. The iodide ions are located between adjacent columns of cations. The cations are linked to the iodide ions by C-H⋯I inter-actions. Weak C-H⋯π inter-actions involving the methyl group are also observed.

| S-EPMC2969718 | biostudies-literature

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title salt, C(14)H(13)ClN(+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the ethynyl bond and is approximately planar, with a dihedral angle of 3.4?(2)° between the pyridinium and benzene rings. The anion is approximately perpendicular to the cation plane, the benzene ring of the anion making dihedral angles of 89.4?(2) and 89.9?(2)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal structure, the cations are linked into a chain along the c axis by C-H?Cl inter-actions. The anions are linked to the adjacent cation chains by C-H?O and C-H?Cl inter-actions, forming a two-dimensional network parallel to the bc plane. The crystal structure is further stabilized by C-H?? inter-actions. A ?-? inter-action is also observed between the pyridinium ring and the benzene ring of the cation with a centroid-centroid distance of 3.668?(3)?Å.

| S-EPMC2969486 | biostudies-literature

1-Methyl-4-[(E)-2-(2-thien-yl)ethen-yl]pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title compound, C(12)H(12)NS(+)·C(6)H(4)ClO(3)S(-), the cation is almost planar and exists in the E configuration. The cations and anions form alternate layers parallel to the ab plane. Within each layer, both cations and anions form chains directed along the b axis. The mol-ecules are inter-connected by weak C-H?O inter-actions into a three-dimensional network. The crystal structure is further stabilized by C-H?? inter-actions involving the thio-phene ring. The sulfonate and thio-phene groups are involved in weak intra-molecular C-H?O and C-H?S inter-actions, respectively. The latter intra-molecular hydrogen bonds produce S(5) ring motifs.

| S-EPMC2960744 | biostudies-literature

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-methoxy-benzene-sulfonate.

Project description:In the asymmetric unit of the title salt, C(14)H(13)ClN(+)·C(7)H(7)O(4)S(-), there are two crystallographically independent mol-ecules for each component. Each cation adopts an E configuration with respect to the C=C bond and is slightly twisted; the dihedral angle between the pyridinium and benzene rings is 6.53?(7)° for one mol-ecule and 5.30?(7)° for the other. The meth-oxy groups in the anion mol-ecules are each twisted from the mean plane of benzene ring with torsion angles of 16.38?(19) and 4.32?(19)°. In the crystal structure, the cations are stacked in an anti-parallel manner along the a axis and the anions are linked together by C-H?O inter-actions into a layer parallel to (001). The anion layers are further linked to adjacent cations by C-H?O inter-actions. C-H?? inter-actions involving the benzene rings of both ions are also observed.

| S-EPMC2969195 | biostudies-literature

2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Project description:In the title compound, C(14)H(13)ClN(+)·C(6)H(4)BrO(3)S(-), the cation exists in an E configuration with respect to the ethenyl bond and is almost planar, the dihedral angle between the pyridinium and the benzene rings being 2.80 (7)°. The dihedral angles between the benzene ring of the anion and the pyridinium and benzene rings of the cation are 80.88 (7) and 79.05 (7)°, respectively. In the crystal, the cations are stacked into columns along the a axis as a result of π-π inter-actions between the pyridinium and chloro-benzene rings with a Cg⋯Cg distance of 3.6976 (8) Å. The anions are linked into chains along the a axis by weak C-H⋯O inter-actions. These anion chains are linked to adjacent cations by additional weak C-H⋯O and C-H⋯Br inter-actions, forming a two-dimensional network parallel to the ab plane. There are also short O⋯Br [3.2567 (11) Å] and C⋯O [2.9917 (18) Å] contacts. The crystal structure is further stabilized by C-H⋯π inter-actions involving the aromatic ring of the anion.

| S-EPMC2977483 | biostudies-literature

2-[(E)-2-(1H-Indol-3-yl)ethen-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate.

Project description:In the title compound, C(16)H(15)N(2) (+)·C(6)H(4)ClO(3)S(-), the cation exists in an E configuration with respect to the central C=C bond and is approximately planar, with a dihedral angle of 2.95 (5)° between the pyridinium and indole rings. The mean plane of the π-conjugated system of the cation and the benzene ring of the anion are inclined to each other at a dihedral angle of 69.65 (4)°. In the crystal packing, the cations are stacked in an anti-parallel manner along the a axis, resulting in a π-π inter-action with a centroid-centroid distance of 3.5889 (7) Å. The anions are linked into a chain along the a axis by weak C-H⋯O inter-actions. The cations are linked with the anions into a three-dimensional network by N-H⋯O hydrogen bonds and weak C-H⋯O inter-actions. There are also short O⋯Cl [3.1272 (10) Å] and C⋯O [3.1432 (14)-3.3753 (14) Å] contacts. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC2977504 | biostudies-literature

2-[(E)-4-(Dimethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(16)H(19)N(2) (+)·C(6)H(4)ClO(3)S(-)·H(2)O, the 2-[4-(dimethyl-amino)-styr-yl]-1-methyl-pyridinium cation exists in an E configuration with respect to the C=C bond and is slightly twisted, with the dihedral angle between the pyridinium and benzene rings being 9.33?(10)°. In the crystal structure, the packing is stabilized by O-H?O hydrogen bonds and weak C-H?O inter-actions, which link the cations, anions and water mol-ecules into chains propagating in [010]. These chains are stacked along the a axis by ?-? inter-actions, with centroid-to-centroid distances of 3.6429?(12) and 3.6879?(12)?Å; weak C-H?? inter-actions are also observed.

| S-EPMC3009047 | biostudies-literature

(E)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium 4-chloro-benzene-sulfonate monohydrate.

Project description:In the title hydrated mol-ecular salt, C(18)H(23)N(2) (+)·C(6)H(4)ClO(3)S(-)·H(2)O, which shows moderate biological activity against methicillin-resistant Staphylococcus aureus (MRSA), one ethyl group of the 2-[4-(diethyl-amino)-styr-yl]-1-methyl-pyridinium cation is disordered over two orientations in a 0.604 (13):0.396 (13) ratio. The main part of the cation is nearly planar with a dihedral angle of 4.50 (10)° between the pyridinium and benzene rings. In the crystal, the components are linked by O-H⋯O hydrogen bonds and C-H⋯O weak inter-actions. Aromatic π-π stacking inter-actions with centroid-centroid separations of 3.7363 (12) and 3.7490 (13) Å also occur.

| S-EPMC3200709 | biostudies-literature

1,1'-Dimethyl-4,4'-(2,4-di-1-naphthyl-cyclo-butane-1,3-di-yl)dipyridinium-(E)-1-methyl-4-[2-(1-naphth-yl)vin-yl]pyridinium-4-amino-benzene-sulfonate-water (0.25/1.50/2/2).

Project description:In the title compound, 1.5C(18)H(16)N(+)·0.25C(36)H(32)N(2) (2+)·2C(6)H(6)NO(3)S(-)·2H(2)O, the monocation exists in the E configuration with respect to the ethenyl C=C double bond and is almost planar, the dihedral angles between the pyridinium and the fused six-membered rings being 3.1?(7) and 3.8?(8)°. The dication lies about an inversion centre. In the crystal, the dication occupies almost the same site occupied by monocations at (x, y, z) and (-x, 1?-?y, 1?-?z). The anions and water mol-ecules are linked into a chain along the a axis by O-H?O and N-H?O hydrogen bonds. The structure is further stabilized by C-H?O hydrogen bonds and ?-? inter-actions between pyridinium and benzene rings, with centroid-centroid distances in the range 3.516?(9)-3.553?(8)?Å. The crystal is a twin with twin law, TWIN 0 0 0 0 1 0 1. The monocation and dication are disordered with fractional site occupancy ratio of 0.75:0.25.

| S-EPMC2977246 | biostudies-literature

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