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

abstract

The title organic salt, C8H8N3+center dot Cl-center dot H2O, exhibits a rich hydrogen-bonding network involving all constituent species. The water molecules are engaged in strong O-H center dot center dot center dot Cl interactions with the chloride anions, two neighboring protonated 2-(1H-pyrazol-3-yl)pyridinium species interact via N-H center dot center dot center dot N bonds with two pyrazole rings. Further, a short and highly directional C-H center dot center dot center dot O interaction is observed connecting the pyridinium ring to the water molecule of crystallization. Weak C-H center dot center dot center dot Cl and N-H center dot center dot center dot Cl interactions contribute to the stabilization of the crystal structure.

keywords

CRYSTAL-STRUCTURES; TRIMESIC ACID; COMPLEXES; DINUCLEAR; LIGAND; TETRANUCLEAR; COPPER(II); PLANAR; UNIT

subject category

Crystallography

authors

Amarante, TR; Goncalves, IS; Paz, FAA

our authors

acknowledgements

We are grateful to Fundacao para a Ciencia e a Tecnologia (FCT, Portugal) for their general financial support (Project PTDC/QUI/71198/2006) and also for specific funding toward the purchase of the single-crystal diffractometer.

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