Amarante Tatiana R, Gonçalves Isabel S, Almeida Paz Filipe A
Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.
Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 25;65(Pt 8):o1962-3. doi: 10.1107/S1600536809028402.
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.
标题有机盐C(8)H(8)N(3) (+)·Cl(-)·H(2)O呈现出一个包含所有组成物种的丰富氢键网络。水分子与氯离子通过O-H⋯Cl强相互作用相连，两个相邻的质子化2-(1H-吡唑-3-基)吡啶鎓物种通过N-H⋯N键与两个吡唑环相互作用。此外，还观察到一个短程且高度定向的C-H⋯O相互作用，将吡啶鎓环与结晶水分子相连。弱C-H⋯Cl和N-H⋯Cl相互作用有助于晶体结构的稳定。
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