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

ABSTRACT: The asymmetric unit of the title compound, C(18)H(23)N(2) (+)·C(6)H(5)O(3)S(-)·H(2)O, comprises a 2-[4-(diethyl-amino)-styr-yl]-1-methyl-pyridinium cation, a benzene-sulfonate anion and a solvent water mol-ecule. One ethyl substituent of the diethyl-amino group of the cation is disordered over two positions in a 0.73789 (9):0.26211 (9) ratio. The cation exists in the E configuration with respect to the C=C bond and the π-conjugated system is essentially planar with a dihedral angle of 0.82 (10)° between the pyridinium and benzene rings. The cation and anion are almost orthogonal with a dihedral angle of 86.71 (10)° between the π-conjugated system of the cation and benzene ring of the anion. In the crystal, mol-ecules are arranged into chains along [001] and adjacent chains are linked by weak C-H⋯O inter-actions. The crystal is further stablilized by O-H⋯O hydrogen bonds and weak C-H⋯π inter-actions.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3051968 | biostudies-literature |

REPOSITORIES: biostudies-literature

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1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]-pyridinium benzene-sulfonate mono-hydrate.

Project description:The asymmetric unit of the title compound, C(17)H(20)NO(3) (+)·C(6)H(5)O(3)S(-)·H(2)O, comprises two 1-methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]pyridinium cations, two benzene-sulfonate anions and two water mol-ecules. The cations exist in the E conformation with respect to the C=C bond; one cation is essentially planar while the other is slightly twisted, the dihedral angles between the pyridinium and phenyl rings being 1.23 (14) and 6.64 (13)°, respectively. In the crystal, cations, anions and water mol-ecules are linked by O-H⋯O hydrogen bonds and weak C-H⋯O inter-actions into chains along the b axis. π-π inter-actions with centroid-centroid distances in the range 3.5557 (16)-3.6876 (16) Å are observed. C-H⋯π inter-actions and a C⋯O short contact [2.94 (4) Å] are also observed.

| S-EPMC3297944 | 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 ?-? stacking inter-actions with centroid-centroid separations of 3.7363?(12) and 3.7490?(13)?Å also occur.

| S-EPMC3200709 | biostudies-literature

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

Project description:In the cation of the title compound, C(18)H(23)N(2) (+)·C(7)H(7)O(4)S(-)·H(2)O, one ethyl group of the diethyl-amino unit is disordered over two sets of sites in a 0.665?(6):0.335?(6) ratio. The styrylpyridinium unit is nearly planar, with a dihedral angle between the pyridinium and benzene rings of 4.27?(8)°. In the crystal, the anion ring is almost perpendicular to the aromatic rings of the cation; the sulfonate-substituted benzene ring forms dihedral angles of 89.60?(8) and 89.37?(8)°, respectively, with the pyridinium and benzene rings of the cation. In the crystal, the three components are linked into a three-dimensional network by O-H?O and C-H?O hydrogen bonds. ?-? inter-actions with centroid-centroid distances of 3.6999?(9) and 3.7106?(9)?Å are also present.

| S-EPMC3435741 | biostudies-literature

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

Project description:The cation of the title compound, C(16)H(19)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, exists in the E configuration with respect to the C=C double bond and is essentially planar, the dihedral angle between the pyridinium and benzene rings being 3.55?(13)°. In the crystal, ?-conjugated planes of cations and anions are inclined to each other at 84.30?(11)°. The crystal structure 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 along the b axis. These chains are stacked along the a axis by ?-? inter-actions with centroid-centroid distances of 3.6032?(16) and 3.6462?(16)?Å.

| S-EPMC3007387 | 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

2-[(E)-4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium iodide.

Project description:In the title compound, C(18)H(23)N(2) (+)·I(-), the cation exists in the E configuration with respect to the ethenyl C=C bond. The pyridinium and benzene rings are nearly coplanar, making a dihedral angle of 4.63?(7)°. The two ethyl groups of the diethyl-amino substituent point in opposite directions with respect to the benzene plane. In the crystal, the cation and the iodide anion are linked by a weak C-H?I inter-action. The cations are stacked in an anti-parallel manner along the a axis by a ?-? inter-action with a centroid-centroid distance of 3.5262?(9)?Å. The crystal structure is further stabilized by C-H?? inter-actions.

| S-EPMC2983428 | biostudies-literature

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

Project description:In the title compound, C(16)H(19)N(2) (+)·C(6)H(4)BrO(3)S(-), the cation is nearly planar, with a dihedral angle of 3.19?(15)° between the pyridinium and the dimethylaminophenyl rings, and exists in the trans configuration. In the crystal packing, the cations and anions are linked into chains parallel to the c axis. These chains are stacked along the b axis. The crystal is stabilized by weak C-H?O and C-H?? inter-actions, and a ?-? inter-action is also observed with a Cg?Cg distance of 3.5675?(19)?Å.

| S-EPMC2968146 | biostudies-other

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

Project description:In the title compound, C(20)H(21)N(2) (+)·C(7)H(7)O(3)S(-)·H(2)O, the cation is essentially planar, as indicated by the dihedral angle of 2.79 (13)° between the quinolinium and the dimethylaminophenyl rings, and exists in the E configuration. The π-conjugated planes of the cation and the anion are inclined to each other at a dihedral angle of 66.95 (12)°. The cation is linked to the anion through C-H⋯O hydrogen bonds and the anion is further linked with the water mol-ecule by O-H⋯O hydrogen bonds, forming a three-mol-ecule unit. These units are arranged in a face-to-face manner into a ribbon-like structure along the b axis. The ribbons are stacked along the c axis. The crystal structure is further stabilized by C-H⋯π inter-actions involving the dimethyl-amino-phenyl and methyl-phenyl rings. A π-π inter-action with a centroid-centroid distance of 3.6074 (19) Å is also observed.

| S-EPMC2967986 | biostudies-literature

1-Methyl-2-[(E)-2,4,5-trimeth-oxy-styr-yl]pyridinium 4-meth-oxy-benzene-sulfonate monohydrate.

Project description:In the title compound, C(17)H(20)NO(3) (+)·C(7)H(7)O(4)S(-)·H(2)O, the cation exists in an E configuration with respect to the C=C bond and is twisted with a dihedral angle of 17.81?(8)° between the pyridinium and benzene rings. The benzene ring of the anion is almost parallel to the pyridinium ring [dihedral angle = 3.45?(9)°], whereas it is inclined to the benzene ring of the cation [dihedral angle = 17.62?(8)°]. The crystal structure 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 along the a axis. ?-? inter-actions with centroid-centroid distances of 3.7751?(9) and 3.7920?(11)?Å are also observed.

| S-EPMC3100012 | biostudies-literature

2-Amino-6-methyl-pyridinium 4-methyl-benzene-sulfonate.

Project description:In the asymmetric unit of the title salt, C6H9N2 (+)·C7H7O3S(-), there are two independent 2-amino-6-methyl-pyridinium cations and two independent 4-methyl-benzene-sulfonate anions. Both cations are protonated at their pyridine N atoms and their geometries reveal amine-imine tautomerism. In the 4-methyl-benzene-sulfonate anions, the carboxyl-ate groups are twisted out of the benzene ring planes by 88.4?(1) and 86.2?(2)°. In the crystal, the sulfonate O atoms of an anion inter-act with the protonated N atoms and the 2-amino groups of a cation via a pair of N-H?O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are connected via N-H?O hydrogen bonds, forming chains running along the a-axis direction. Within the chains there are weak C-H?O hydrogen bonds present. In addition, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(2), 3.599?(2), 3.599?(2) and 3.497?(2)?Å] involving neighbouring chains are also observed.

| S-EPMC4011207 | biostudies-literature

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