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2-Amino-4-methyl-pyridinium (E)-3-carb-oxy-prop-2-enoate.

ABSTRACT: In the title salt, C(6)H(9)N(2) (+)·C(4)H(3)O(4) (-), the dihedral angle between the pyridine ring and the plane formed by the hydrogen fumarate anion is 85.67?(6)°. Excluding the amino and methyl groups, the atoms of the cation are coplanar, with a maximum deviation of 0.005?(1)?Å. In the crystal structure, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H?O hydrogen bonds, forming an R(2) (2)(8) ring motif. These motifs are further connected through N-H?O and C-H?O hydrogen bonds, leading to a supra-molecular chain along the c axis. These chains are further cross-linked via a pair of O-H?O hydrogen bonds involving centrosymmetrically related hydrogen fumarate anions, forming a two-dimensional network parallel to (101). These planes are further interconnected by O-H?O interactions into a three-dimensional network.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3007340 | biostudies-literature | 2010 Jul

REPOSITORIES: biostudies-literature

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2-Amino-4-methyl-pyridinium (E)-3-carb-oxy-prop-2-enoate.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20100710 Pt 8

In the title salt, C(6)H(9)N(2) (+)·C(4)H(3)O(4) (-), the dihedral angle between the pyridine ring and the plane formed by the hydrogen fumarate anion is 85.67 (6)°. Excluding the amino and methyl groups, the atoms of the cation are coplanar, with a maximum deviation of 0.005 (1) Å. In the crystal structure, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxyl-ate O atoms of the anion via a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. ...[more]

PMID: 21588284

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