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2-(3-Amino-pyridinium-1-yl)-3-carb-oxy-propano-ate monohydrate.

ABSTRACT: The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino-pyridine on the fumaric ?,?-system. Within the molecule, the amino-pyridine moiety and the carboxyl-ate and carb-oxy-lic acid fragments form dihedral angles of 68.6?(2) and 62.8?(2)°, respectively. The geometry adopted by the mol-ecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO-H?OOC motifs. These chains are inter-connected by N-H?O and O-H?O hydrogen bonds involving the carb-oxy-lic acid and carboxyl-ate units and the solvent water mol-ecules.

SUBMITTER: Millan Corrales G

PROVIDER: S-EPMC3297908 | biostudies-other | 2012 Mar

REPOSITORIES: biostudies-other

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2-(3-Amino-pyridinium-1-yl)-3-carb-oxy-propano-ate monohydrate.

Millán Corrales Guadalupe G Morales-Morales David D Hernández-Ortega Simón S Campos-Gaxiola José J JJ Cruz Enríquez Adriana A

Acta crystallographica. Section E, Structure reports online 20120224 Pt 3

The title compound, C(9)H(10)N(2)O(4)·H(2)O, was obtained as a zwitterion derived from the nucleophilic attack of 3-amino-pyridine on the fumaric α,β-system. Within the molecule, the amino-pyridine moiety and the carboxyl-ate and carb-oxy-lic acid fragments form dihedral angles of 68.6 (2) and 62.8 (2)°, respectively. The geometry adopted by the mol-ecule does not allow the formation of centrosymmetric dimeric hydrogen-bonded units; instead chains along the a axis are linked by COO-H⋯OOC motifs. ...[more]

PMID: 22412711

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