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

ABSTRACT: In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5?(2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with ?-? inter-actions between pyridinium and benzene rings [centroid-centroid distances = 3.651?(3) and 3.613?(3)?Å]. The anions and water mol-ecules are located between the cationic layers. The ions and water mol-ecules are linked into a three-dimensional framework by O-H?O and C-H?O hydrogen bonds.

SUBMITTER: Fun HK

PROVIDER: S-EPMC2979781 | biostudies-literature | 2010 Jan

REPOSITORIES: biostudies-literature

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

Fun Hoong-Kun HK Chanawanno Kullapa K Chantrapromma Suchada S

Acta crystallographica. Section E, Structure reports online 20100109 Pt 2

In the title compound, C(16)H(18)NO(+)·C(6)H(4)BrO(3)S(-)·H(2)O, the cation exists in an E configuration with respect to the ethenyl bond and is slightly twisted with a dihedral angle of 8.5 (2)° between pyridinium and benzene rings. In the crystal, the cations are arranged in layers parallel to (100), with π-π inter-actions between pyridinium and benzene rings [centroid-centroid distances = 3.651 (3) and 3.613 (3) Å]. The anions and water mol-ecules are located between the cationic layers. The ...[more]

PMID: 21579738

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