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2,3-Diamino-pyridinium 4-hydroxy-benzoate.

Fun HK, Balasubramani K - Acta Crystallogr Sect E Struct Rep Online (2009)

Bottom Line: In the 4-hydroxy-benzoate anion, the carboxyl-ate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°.The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy-benzoate anion through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif.The crystal structure is further stabilized by O-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions involving the pyridinium rings [centroid-centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network.

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Affiliation: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 Universiti Sains Malaysia, Penang, Malaysia.

ABSTRACT
In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the pyridine N atom is protonated. In the 4-hydroxy-benzoate anion, the carboxyl-ate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°. The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy-benzoate anion through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The crystal structure is further stabilized by O-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions involving the pyridinium rings [centroid-centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network.

No MeSH data available.


Crystal packing of the title compound, showing a part of the three-dimensional network. Hydrogen bonds are shown as dashed lines.
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Fap2: Crystal packing of the title compound, showing a part of the three-dimensional network. Hydrogen bonds are shown as dashed lines.


2,3-Diamino-pyridinium 4-hydroxy-benzoate.

Fun HK, Balasubramani K - Acta Crystallogr Sect E Struct Rep Online (2009)

Crystal packing of the title compound, showing a part of the three-dimensional network. Hydrogen bonds are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC2969455&req=5

Fap2: Crystal packing of the title compound, showing a part of the three-dimensional network. Hydrogen bonds are shown as dashed lines.
Bottom Line: In the 4-hydroxy-benzoate anion, the carboxyl-ate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°.The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy-benzoate anion through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif.The crystal structure is further stabilized by O-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions involving the pyridinium rings [centroid-centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: X-ray Crystallography Unit, School of Physics, Universiti Sains Malaysia, 11800 Universiti Sains Malaysia, Penang, Malaysia.

ABSTRACT
In the title compound, C(5)H(8)N(3) (+)·C(7)H(5)O(3) (-), the pyridine N atom is protonated. In the 4-hydroxy-benzoate anion, the carboxyl-ate group is twisted slightly out of the benzene ring plane by an angle of 3.77 (5)°. The protonated N atom and one of the two amino groups are hydrogen-bonded to the 4-hydroxy-benzoate anion through a pair of N-H⋯O hydrogen bonds, forming an R(2) (2)(8) ring motif. The crystal structure is further stabilized by O-H⋯O and C-H⋯O hydrogen bonds and π-π inter-actions involving the pyridinium rings [centroid-centroid distance of 3.6277 (5) Å], leading to the formation of a three-dimensional network.

No MeSH data available.