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2-(1H-Pyrazol-3-yl)pyridinium chloride monohydrate.

ABSTRACT: The title organic salt, C(8)H(8)N(3) (+)·Cl(-)·H(2)O, exhibits a rich hydrogen-bonding network involving all constituent species. The water mol-ecules are engaged in strong O-H?Cl inter-actions with the chloride anions, two neighboring protonated 2-(1H-pyrazol-3-yl)pyridinium species inter-act via N-H?N bonds with two pyrazole rings. Further, a short and highly directional C-H?O inter-action is observed connecting the pyridinium ring to the water mol-ecule of crystallization. Weak C-H?Cl and N-H?Cl inter-actions contribute to the stabilization of the crystal structure.

SUBMITTER: Amarante TR

PROVIDER: S-EPMC2977379 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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2-(1H-Pyrazol-3-yl)pyridinium chloride monohydrate.

Amarante Tatiana R TR Gonçalves Isabel S IS Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20090725 Pt 8

The title organic salt, C(8)H(8)N(3) (+)·Cl(-)·H(2)O, exhibits a rich hydrogen-bonding network involving all constituent species. The water mol-ecules are engaged in strong O-H⋯Cl inter-actions with the chloride anions, two neighboring protonated 2-(1H-pyrazol-3-yl)pyridinium species inter-act via N-H⋯N bonds with two pyrazole rings. Further, a short and highly directional C-H⋯O inter-action is observed connecting the pyridinium ring to the water mol-ecule of crystallization. Weak C-H⋯Cl and N-H ...[more]

PMID: 21583640

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