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2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.


ABSTRACT: 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.

SUBMITTER: Chantrapromma S 

PROVIDER: S-EPMC2977483 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature

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2-[(E)-2-(4-Chloro-phen-yl)ethen-yl]-1-methyl-pyridinium 4-bromo-benzene-sulfonate.

Chantrapromma Suchada S   Chanawanno Kullapa K   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20090718 Pt 8


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  ...[more]

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