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4-(Dimethyl-amino)pyridinium 4-toluene-sulfonate.

ABSTRACT: In the title compound, C(7)H(11)N(2) (+)·C(7)H(7)O(3)S(-), the cation is protonated at the N atom of the heterocyclic ring. The dimethyl-amino group lies close to the pyridinium ring plane with a dihedral angle between the pyridinium and the dimethyl-amine CNC planes of 3.82?(17)°. The N-C bond linking the dimethyl-amino substituent to the pyridinium ring is characteristically short [1.3360?(19)?Å], suggesting some delocalization in the cation. In the crystal structure, N-H?O hydrogen bonds link individual pairs of cations and anions. The structure is further stabilized by an extensive series of C-H?O hydrogen bonds, augmented by ?-? [centroid-centroid distance between adjacent pyridinium rings = 3.5807?(10)?Å] and C-H?? inter-actions, giving a network structure.

SUBMITTER: McAdam CJ

PROVIDER: S-EPMC2960775 | biostudies-literature | 2008 Feb

REPOSITORIES: biostudies-literature

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4-(Dimethyl-amino)pyridinium 4-toluene-sulfonate.

McAdam C John CJ Simpson Jim J

Acta crystallographica. Section E, Structure reports online 20080227 Pt 3

In the title compound, C(7)H(11)N(2) (+)·C(7)H(7)O(3)S(-), the cation is protonated at the N atom of the heterocyclic ring. The dimethyl-amino group lies close to the pyridinium ring plane with a dihedral angle between the pyridinium and the dimethyl-amine CNC planes of 3.82 (17)°. The N-C bond linking the dimethyl-amino substituent to the pyridinium ring is characteristically short [1.3360 (19) Å], suggesting some delocalization in the cation. In the crystal structure, N-H⋯O hydrogen bonds link ...[more]

PMID: 21201959

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