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

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 ?-? 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.

SUBMITTER: Wang YC 

PROVIDER: S-EPMC3379289 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature