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4-Cyano-pyridinium dihydrogen phosphate-isonicotinonitrile-phospho-ric acid (1/1/1).

Wang YC - Acta Crystallogr Sect E Struct Rep Online (2012)

Bottom Line: The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (-)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyano-pyridinium cation, one H(2)PO(4) (-) anion, one independent isonicotinonitrile mol-ecule and one independent H(3)PO(4) mol-ecule.The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°.O-H⋯O hydrogen-bonding inter-actions involving the H(2)PO(4) (-) anions and H(3)PO(4) mol-ecules provide additional support from the inorganic groups Weak π-π stacking inter-actions between the pyridine rings of neighbouring organic mol-ecules [centroid-centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network.

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Affiliation: College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (-)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyano-pyridinium cation, one H(2)PO(4) (-) anion, one independent isonicotinonitrile mol-ecule and one independent H(3)PO(4) mol-ecule. The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°. In the crystal, N-H⋯O and O-H⋯N hydrogen bonds and weak C-H⋯O and C-H⋯N inter-molecular inter-actions connect the organic mol-ecules into a two-dimensional network parallel to the ac plane. O-H⋯O hydrogen-bonding inter-actions involving the H(2)PO(4) (-) anions and H(3)PO(4) mol-ecules provide additional support from the inorganic groups Weak π-π stacking inter-actions between the pyridine rings of neighbouring organic mol-ecules [centroid-centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network.

No MeSH data available.


Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids for one cation-anion unit and bimolecular unit in the asymmetric unit.
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Fap1: Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids for one cation-anion unit and bimolecular unit in the asymmetric unit.


4-Cyano-pyridinium dihydrogen phosphate-isonicotinonitrile-phospho-ric acid (1/1/1).

Wang YC - Acta Crystallogr Sect E Struct Rep Online (2012)

Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids for one cation-anion unit and bimolecular unit in the asymmetric unit.
© Copyright Policy - open-access
Related In: Results  -  Collection

License
Show All Figures
getmorefigures.php?uid=PMC3379289&req=5

Fap1: Molecular structure of the title compound showing the atom labeling scheme and 50% probability displacement ellipsoids for one cation-anion unit and bimolecular unit in the asymmetric unit.
Bottom Line: The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (-)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyano-pyridinium cation, one H(2)PO(4) (-) anion, one independent isonicotinonitrile mol-ecule and one independent H(3)PO(4) mol-ecule.The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°.O-H⋯O hydrogen-bonding inter-actions involving the H(2)PO(4) (-) anions and H(3)PO(4) mol-ecules provide additional support from the inorganic groups Weak π-π stacking inter-actions between the pyridine rings of neighbouring organic mol-ecules [centroid-centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network.

View Article: PubMed Central - HTML - PubMed

Affiliation: College of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

ABSTRACT
The asymmetric unit of the title compound, C(6)H(5)N(2) (+)·H(2)PO(4) (-)·C(6)H(4)N(2)·H(3)PO(4), contains one 4-cyano-pyridinium cation, one H(2)PO(4) (-) anion, one independent isonicotinonitrile mol-ecule and one independent H(3)PO(4) mol-ecule. The dihedral angle between the mean planes of the separate protonated and unprotonated pyridine rings is 9.93 (8)°. In the crystal, N-H⋯O and O-H⋯N hydrogen bonds and weak C-H⋯O and C-H⋯N inter-molecular inter-actions connect the organic mol-ecules into a two-dimensional network parallel to the ac plane. O-H⋯O hydrogen-bonding inter-actions involving the H(2)PO(4) (-) anions and H(3)PO(4) mol-ecules provide additional support from the inorganic groups Weak π-π stacking inter-actions between the pyridine rings of neighbouring organic mol-ecules [centroid-centroid distances = 3.711 (4) and 3.784 (2) Å] further link the layers into a three-dimensional network.

No MeSH data available.