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

Amarante TR, Gonçalves IS, Almeida Paz FA - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.

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.

No MeSH data available.


Related in: MedlinePlus

Hydrogen bonds interconnecting the chemical moieties present in (I). (a) Strong N—H···N, O—H···Cl and short C—H···O interactions (violet dashed lines), leading to the formation of a 1-D supramolecular tape composed by the alternation of R42(8), R22(6) and S graph set motifs. (b) Weak N—H···Cl and C—H···Cl interactions (orange dashed lines). For clarity all symmetry transformations used to generate equivalent atoms have been omitted. See Table 1 for geometric details of the highlighted hydrogen bonding interactions.
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Fap2: Hydrogen bonds interconnecting the chemical moieties present in (I). (a) Strong N—H···N, O—H···Cl and short C—H···O interactions (violet dashed lines), leading to the formation of a 1-D supramolecular tape composed by the alternation of R42(8), R22(6) and S graph set motifs. (b) Weak N—H···Cl and C—H···Cl interactions (orange dashed lines). For clarity all symmetry transformations used to generate equivalent atoms have been omitted. See Table 1 for geometric details of the highlighted hydrogen bonding interactions.


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

Amarante TR, Gonçalves IS, Almeida Paz FA - Acta Crystallogr Sect E Struct Rep Online (2009)

Hydrogen bonds interconnecting the chemical moieties present in (I). (a) Strong N—H···N, O—H···Cl and short C—H···O interactions (violet dashed lines), leading to the formation of a 1-D supramolecular tape composed by the alternation of R42(8), R22(6) and S graph set motifs. (b) Weak N—H···Cl and C—H···Cl interactions (orange dashed lines). For clarity all symmetry transformations used to generate equivalent atoms have been omitted. See Table 1 for geometric details of the highlighted hydrogen bonding interactions.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2977379&req=5

Fap2: Hydrogen bonds interconnecting the chemical moieties present in (I). (a) Strong N—H···N, O—H···Cl and short C—H···O interactions (violet dashed lines), leading to the formation of a 1-D supramolecular tape composed by the alternation of R42(8), R22(6) and S graph set motifs. (b) Weak N—H···Cl and C—H···Cl interactions (orange dashed lines). For clarity all symmetry transformations used to generate equivalent atoms have been omitted. See Table 1 for geometric details of the highlighted hydrogen bonding interactions.
Bottom Line: 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.

View Article: PubMed Central - HTML - PubMed

Affiliation: Department of Chemistry, University of Aveiro, CICECO, 3810-193 Aveiro, Portugal.

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.

No MeSH data available.


Related in: MedlinePlus