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4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 3,5-dicarb-oxy-benzene-sulfonate methanol monosolvate.

ABSTRACT: In the crystal structure of the title solvated salt, C(16)H(19)N(2) (+)·C(8)H(5)O(7)S(-)·CH(3)OH, the anions and the methanol solvent mol-ecules are linked by O-H⋯O hydrogen bonds. The cations and anions are packed as alternate layers parallel to (11[Formula: see text]). The crystal structure is further stabilized by a π-π inter-action between the pyridinium and benzene rings of the cations, with a centroid-centroid distance of 3.5492 (4) Å.

SUBMITTER: Li L

PROVIDER: S-EPMC3274978 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Similar Datasets

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 2-amino-3,5-dimethyl-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title compound, C(16)H(19)N(2) (+)·C(8)H(10)NO(3)S(-)·H(2)O, the cations and anions are linked by O-H?O and N-H?O hydrogen bonds, forming alternating layers parallel to the ac plane. An intra-molecular N-H?O hydrogen bond occurs in the anion. The crystal structure is further stabilized by ?-? inter-actions, with centroid-centroid distances of 3.7240?(9) and 3.6803?(8)?Å.

| S-EPMC3275184 | biostudies-literature

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 4-nitro-benzene-sulfonate.

Project description:The asymmetric unit of the title salt, C(16)H(19)N(2) (+). C(6)H(4)NO(5)S(-), consists of two cations and two anions. The crystal structure is stabilized by π-π inter-actions between the pyridyl and phenyl rings of the cations, with a centroid-centroid distance of 3.7323 (6) Å.

| S-EPMC3343963 | biostudies-literature

4-{2-[4-(Dimethyl-amino)-phen-yl]ethen-yl}-1-methyl-pyridinium 2,4,6-trimethyl-benzene-sulfonate monohydrate.

Project description:In the crystal structure of the title organic salt, C(16)H(19)N(2) (+)·C(9)H(11)O(3)S(-)·H(2)O, the cations pack head-to-tail within a sheet and are aligned in opposite directions in neighboring sheets. The benzene ring of the anion makes an angle of 76.99 (6)° with the plane of the cationic chromophore. The cations are situated in the ab plane, whereas the benzene rings of the anions lie in the ac plane.

| S-EPMC3099972 | biostudies-literature

(E)-4-[2-(4-Eth-oxy-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate methanol hemisolvate.

Project description:In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·0.5CH(3)OH, the cation exists in the E configuration and the whole mol-ecule of the cation, except for the O atom of the eth-oxy group, is disordered with a site-occupancy ratio of 0.695?(5):0.305?(5). The cation is disordered in such a way that the ethenyl units of the major and minor components are related by 180° around the long mol-ecular axis. In the major component, the cation is almost planar, the dihedral angle between the pyridinium and benzene rings being 0.8?(3)°, whereas in the minor component, the dihedral angle between the two aromatic rings is 4.2?(6)°. In the crystal, the cations are stacked in an anti-parallel manner along the a axis, while the anions and methanol mol-ecules are linked through O-H?O hydrogen bonds and Br?O short contacts [3.0248?(13)?Å] into a tape along the same direction. The three components are further linked by weak C-H?O, C-H?Br and C-H?? inter-actions.

| S-EPMC3050231 | biostudies-literature

3,5-Dicarb-oxy-2,6-dimethyl-pyridinium chloride dihydrate.

Project description:In the title compound, C(9)H(10)NO(4) (+)·Cl(-)·2H(2)O, both the cation and the anion have crystallographic twofold rotation symmetry; in the former, one N and one C atom lie on the rotation axis. In the crystal structure, the ions and water mol-ecules are linked via O-H?O, O-H?Cl and N-H?Cl hydrogen bonds into layers parallel to (101).

| S-EPMC2979551 | 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

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

Project description:In the title compound, C(12)H(12)NS(+)·C(7)H(7)O(3)S(-), the cation exists in an E configuration with respect to the ethenyl C=C bond. The cation is essentially planar with a dihedral angle of 1.94 (10)° between the pyridinium and thio-phene rings. The benzene ring of the anion makes dihedral angles of 75.23 (10) and 76.83 (10)°, respectively, with the pyridinium and thio-phene rings. In the crystal structure, cations and anions form alternate layers parallel to the bc plane. Within each layer, both cations and anions are arranged into chains directed along the b axis. The cation chain and the anion chain are inter-connected by weak C-H⋯O inter-actions into a three-dimensional network. The crystal structure is further stabilized by C-H⋯π inter-actions.

| S-EPMC2959609 | 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-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

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

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