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2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate sesquihydrate.

ABSTRACT: In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O, extensive O-H?O, O-H?N, N-H?O and C-H?O hydrogen bonds, as well as ion pairing, ?-? stacking inter-actions [centroid-centroid distances = 3.4690?(8) and 3.6932?(8)?Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter-actions between water mol-ecules, which result in cyclic tetra-meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the -CO(2) and -CO(2)H groups make torsion angles of 1.73?(18) and -12.14?(18)° with respect to the ring.

SUBMITTER: Sharif MA

PROVIDER: S-EPMC3011762 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature

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2-Amino-4-methyl-pyridinium 6-carb-oxy-pyridine-2-carboxyl-ate sesquihydrate.

Sharif Mahboubeh A MA Tabatabaee Masoumeh M Adinehloo Mahnaz M Aghabozorg Hossein H

Acta crystallographica. Section E, Structure reports online 20101120 Pt 12

In the title compound, C(6)H(9)N(2) (+)·C(7)H(4)NO(4) (-)·1.5H(2)O, extensive O-H⋯O, O-H⋯N, N-H⋯O and C-H⋯O hydrogen bonds, as well as ion pairing, π-π stacking inter-actions [centroid-centroid distances = 3.4690 (8) and 3.6932 (8) Å between aromatic rings] occur in the crystal. There are hydrogen-bonding inter-actions between water mol-ecules, which result in cyclic tetra-meric water clusters. One of the water O molecules has half occupancy. In the anion molecules, the -CO(2) and -CO(2)H groups ...[more]

PMID: 21589522

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