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

ABSTRACT: 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.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC3007387 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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

Chantrapromma Suchada S Chanawanno Kullapa K Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

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, π-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 chai ...[more]

PMID: 21588293

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