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3-Amino-pyridin-1-ium 3-carb-oxy-benzo-ate.

Campos-Gaxiola JJ, Hernández-Ortega S, Morales-Morales D, Cruz Enríquez A - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6 (4)°.In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π-π stacking inter-actions with centroid-centroid distances in the range 3.676 (2)-3.711 (1) Å.The π-π stacks extend along [110] and [-110].

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ABSTRACT
In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6 (4)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π-π stacking inter-actions with centroid-centroid distances in the range 3.676 (2)-3.711 (1) Å. The π-π stacks extend along [110] and [-110].

No MeSH data available.


Packing diagram of the title compound. The intermolecular O—H···O, N—H···O hydrogen bonds and π···π interactions are shown as dashed lines.
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Fap2: Packing diagram of the title compound. The intermolecular O—H···O, N—H···O hydrogen bonds and π···π interactions are shown as dashed lines.


3-Amino-pyridin-1-ium 3-carb-oxy-benzo-ate.

Campos-Gaxiola JJ, Hernández-Ortega S, Morales-Morales D, Cruz Enríquez A - Acta Crystallogr Sect E Struct Rep Online (2012)

Packing diagram of the title compound. The intermolecular O—H···O, N—H···O hydrogen bonds and π···π interactions are shown as dashed lines.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3344561&req=5

Fap2: Packing diagram of the title compound. The intermolecular O—H···O, N—H···O hydrogen bonds and π···π interactions are shown as dashed lines.
Bottom Line: In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6 (4)°.In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π-π stacking inter-actions with centroid-centroid distances in the range 3.676 (2)-3.711 (1) Å.The π-π stacks extend along [110] and [-110].

View Article: PubMed Central - HTML - PubMed

ABSTRACT
In the title organic salt, C(5)H(7)N(2) (+)·C(8)H(5)O(4) (-), the carb-oxy-lic group is nearly coplanar with the benzene ring [dihedral angle 1.9 (4)°] whereas the carboxyl-ate group is twisted relative to the benzene ring by 13.6 (4)°. In the crystal, N-H⋯O and O-H⋯O hydrogen bonds connect the components into a three-dimensional framework consisting of stacks of alternating pairs of anions and cations exhibiting π-π stacking inter-actions with centroid-centroid distances in the range 3.676 (2)-3.711 (1) Å. The π-π stacks extend along [110] and [-110].

No MeSH data available.