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2-Amino-4,6-dimethyl-pyridinium benzoate.

ABSTRACT: In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H?O hydrogen bonds. A ?-? inter-action, with a centroid-centroid distance of 3.661?(2)?Å, is also observed.

SUBMITTER: Asaruddin MR

PROVIDER: S-EPMC2983164 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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2-Amino-4,6-dimethyl-pyridinium benzoate.

Asaruddin Mohd Razip MR Wahab Habibah A HA Mohamed Nornisah N Rosli Mohd Mustaqim MM Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100904 Pt 10

In the title compound, C(7)H(11)N(2) (+)·C(7)H(5)O(2) (-), the 2-amino-4,6-dimethyl-pyridinium cation and the benzoate anion are linked by two N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The H atoms in both the methyl groups are rotationally disordered, with fixed site occupancies of 0.50. In the crystal structure, the mol-ecules are stabilized by inter-molecular N-H⋯O hydrogen bonds. A π-π inter-action, with a centroid-centroid distance of 3.661 (2) Å, is also observed. ...[more]

PMID: 21587493

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2-Amino-4,6-dimethyl-pyridinium chloride dihydrate.

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2-Amino-5-methyl-pyridinium 2-amino-benzoate.

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2-Amino-4-methyl-pyridinium 4-amino-benzoate.

Project description:In the structure of the title salt, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the 4-amino-benzoate anions are linked to adjacent anions and 2-amino-4-methyl-pyridinium cations via N-H?O hydrogen bonds, forming a three-dimensional supra-molecular structure. The crystal structure also shows a weak C-H?O hydrogen bond between adjacent anions. Within the 4-amino-benzoate anion, the carboxyl-ate group is twisted by 14.0?(4)° with respect to the benz-ene ring.

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Project description:In the title compound, C(6)H(9)N(2) (+)·C(7)H(6)NO(2) (-), the H atom of the N-H group and an H atom of the 2-amino group from the cation are involved in inter-molecular N-H?O hydrogen bonds with the O atoms of the carboxyl-ate group of the anion, forming an R(2) (2)(8) ring motif. These ring motifs are, in turn, connected by further N-H?O hydrogen bonds, forming a two-dimensional network. The crystal structure is further stabilized by ??? stacking inter-actions involving the benzene and pyridinium rings with a centroid-centroid distance of 3.7594?(8)?Å.

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2-Amino-5-bromo-pyridinium 3-amino-benzoate.

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