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

ABSTRACT: 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.

SUBMITTER: Kobkeatthawin T

PROVIDER: S-EPMC2967986 | biostudies-literature |

REPOSITORIES: biostudies-literature

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

Project description:In the title compound, C(20)H(21)N(2) (+)·C(7)H(7)O(4)S(-)·H(2)O, the cation is nearly planar and exists in the E configuration. The cations and anions form individual chains along the b axis and are inter-connected by weak C-H?O inter-actions. The 4-methoxy-benzensulfonate anions are linked to water mol-ecules through O-H?O hydrogen bonds, forming a three-dimensional network. The crystal structure is further stabilized by a C-H?? inter-action involving the methoxy-phenyl ring. The sulfonate anion is also involved in a weak intra-molecular C-H?O inter-action which generates an S(5) ring motif.

| S-EPMC2960777 | biostudies-literature

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

Project description:In the title hydrated molecular salt, C22H25N2 (+)·C6H4FO3S(-)·H2O, the cation displays whole mol-ecule disorder over two sets of sites in a 0.780?(5):0.220?(5) ratio. The quinolinium ring system is essentially planar, with r.m.s. deviations of 0.0162 and 0.0381?Å for the major and minor disorder components, respectively. The dihedral angles between the mean plane of the quinolinium ring system and the benzene ring are 5.1?(3) and 7.7?(11)°, respectively, for the major and minor components in the cation. In the crystal, cations, anions and water mol-ecules are linked into chains along [010] by O-H?O hydrogen bonds and are further connected into a three-dimensional network by weak C-H?O and C-H?F inter-actions. In addition, ?-? inter-actions with centroid-centroid distances of 3.634?(3), 3.702?(5) and 3.838?(5)?Å are observed.

| S-EPMC3790381 | 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

(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

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

(E)-2-[4-(Di-ethyl-amino)-styr-yl]-1-methyl-quinolin-1-ium 4-chloro-benzene-sulfonate monohydrate.

Project description:The asymmetric unit of the title hydrated salt, C22H25N2 (+)·C6H4ClO3S(-)·H2O, comprises two 2-[4-(di-ethyl-amino)-styr-yl]-1-methyl-quinolin-1-ium cations, two 4-chloro-benzene-sul-fon-ate anions and two solvent water mol-ecules. One ethyl group of both cations displays disorder over two positions in a 0.659?(2):0.341?(2) ratio in one mol-ecule and in a 0.501?(2):0.499?(2) ratio in the other. The sulfonate group of one anion is also disordered over two positions in a 0.893?(7):0.107?(7) ratio. The dihedral angle between the mean plane of the quinolinium ring system and that of benzene ring is 10.57?(18)° in one cation and 14.4?(2)° in the other. In the crystal, cations, anions and water mol-ecules are linked into chains along the [010] direction by O-H?Osulfonate hydrogen bonds, together with weak C-H?Osulfonate and C-H?Cl inter-actions. The cations are stacked by ?-? inter-actions, with centroid-centroid distances in the range 3.675?(2)-4.162?(3)?Å.

| S-EPMC3998564 | 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)-2-[4-(Diethyl-amino)-styr-yl]-1-methyl-pyridinium benzene-sulfonate mono-hydrate.

Project description: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.

| S-EPMC3051968 | biostudies-literature

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