3,4-Diamino-pyridinium 4-nitro-benzoate-4-nitro-benzoic acid (1/1).

ABSTRACT: In the title compound, C(5)H(8)N(3) (+)·C(7)H(4)NO(4) (-)·C(7)H(5)NO(4), the non-H atoms of the 3,4-diamino-pyridinium cation are coplanar, with a maximum deviation of 0.022?(1)?Å. The carboxyl-ate and nitro groups of the 4-nitro-benzoate anion are twisted out of the attached ring planes by dihedral angles of 15.89?(8) and 10.20?(8)°, respectively. In the 4-nitro-benzoic acid mol-ecule, the carboxyl and nitro groups form dihedral angles of 18.25?(8) and 6.55?(8)°, respectively, with the benzene ring. In the crystal, the constituent units form two-dimensional networks parallel to (001) by O-H?O, N--H?O and C-H?O hydrogen bonds. Weak ?-? inter-actions involving inversion-related 4-nitro-benzoic acid mol-ecules [centroid-centroid distance = 3.7325?(8)?Å] and inversion-related 4-nitro-benzoate mol-ecules [centroid-centroid distance = 3.7124?(8)?Å] are also observed.

SUBMITTER: Fun HK 

PROVIDER: S-EPMC2977481 | biostudies-literature | 2009 Jul

REPOSITORIES: biostudies-literature