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1-Methyl-4-[(E)-2-(2-thien-yl)-ethen-yl]-pyridinium 4-methyl-benzene-sulfonate.

ABSTRACT: In the title compound, C(12)H(12)NS(+)·C(7)H(7)O(3)S(-), the cation exists in an E configuration with respect to the ethenyl C=C bond. The cation is essentially planar with a dihedral angle of 1.94?(10)° between the pyridinium and thio-phene rings. The benzene ring of the anion makes dihedral angles of 75.23?(10) and 76.83?(10)°, respectively, with the pyridinium and thio-phene rings. In the crystal structure, cations and anions form alternate layers parallel to the bc plane. Within each layer, both cations and anions are arranged into chains directed along the b axis. The cation chain and the anion chain are inter-connected by weak C-H?O inter-actions into a three-dimensional network. The crystal structure is further stabilized by C-H?? inter-actions.

SUBMITTER: Chantrapromma S

PROVIDER: S-EPMC2959609 | biostudies-literature | 2008 Oct

REPOSITORIES: biostudies-literature

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1-Methyl-4-[(E)-2-(2-thien-yl)-ethen-yl]-pyridinium 4-methyl-benzene-sulfonate.

Chantrapromma Suchada S Ruanwas Pumsak P Fun Hoong-Kun HK Karalai Chatchanok C

Acta crystallographica. Section E, Structure reports online 20081004 Pt 11

In the title compound, C(12)H(12)NS(+)·C(7)H(7)O(3)S(-), the cation exists in an E configuration with respect to the ethenyl C=C bond. The cation is essentially planar with a dihedral angle of 1.94 (10)° between the pyridinium and thio-phene rings. The benzene ring of the anion makes dihedral angles of 75.23 (10) and 76.83 (10)°, respectively, with the pyridinium and thio-phene rings. In the crystal structure, cations and anions form alternate layers parallel to the bc plane. Within each layer, ...[more]

PMID: 21580938

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