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

ABSTRACT: 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.

SUBMITTER: Fun HK

PROVIDER: S-EPMC3200709 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Kaewmanee Narissara N Chanawanno Kullapa K Karalai Chatchanok C Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20110827 Pt 9

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 ...[more]

PMID: 22059040

Similar Datasets

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.

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(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.

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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.

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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.

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(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.

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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

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