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2-Amino-6-methyl-pyridinium 4-methyl-benzene-sulfonate.

ABSTRACT: In the asymmetric unit of the title salt, C6H9N2 (+)·C7H7O3S(-), there are two independent 2-amino-6-methyl-pyridinium cations and two independent 4-methyl-benzene-sulfonate anions. Both cations are protonated at their pyridine N atoms and their geometries reveal amine-imine tautomerism. In the 4-methyl-benzene-sulfonate anions, the carboxyl-ate groups are twisted out of the benzene ring planes by 88.4?(1) and 86.2?(2)°. In the crystal, the sulfonate O atoms of an anion inter-act with the protonated N atoms and the 2-amino groups of a cation via a pair of N-H?O hydrogen bonds, forming an R 2 (2)(8) ring motif. These motifs are connected via N-H?O hydrogen bonds, forming chains running along the a-axis direction. Within the chains there are weak C-H?O hydrogen bonds present. In addition, aromatic ?-? stacking inter-actions [centroid-centroid distances = 3.771?(2), 3.599?(2), 3.599?(2) and 3.497?(2)?Å] involving neighbouring chains are also observed.

SUBMITTER: Babu KS

PROVIDER: S-EPMC4011207 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature

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2-Amino-6-methyl-pyridinium 4-methyl-benzene-sulfonate.

Babu K Syed Suresh KS Dhavamurthy M M NizamMohideen M M Peramaiyan G G Mohan R R

Acta crystallographica. Section E, Structure reports online 20140426 Pt 5

In the asymmetric unit of the title salt, C6H9N2 (+)·C7H7O3S(-), there are two independent 2-amino-6-methyl-pyridinium cations and two independent 4-methyl-benzene-sulfonate anions. Both cations are protonated at their pyridine N atoms and their geometries reveal amine-imine tautomerism. In the 4-methyl-benzene-sulfonate anions, the carboxyl-ate groups are twisted out of the benzene ring planes by 88.4 (1) and 86.2 (2)°. In the crystal, the sulfonate O atoms of an anion inter-act with the proton ...[more]

PMID: 24860395

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