Hydrogen bonding in the crystal structure of the molecular salt of pyrazole-pyrazolium picrate.
The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-tri-nitro-phenolate-1H-pyrazole (1/1)], H(C3H4N2)2 (+)·C6H2N3O7 (-), consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N-H⋯N hydrogen bond is disordered over both symmetry-unique pyrazole mol-ecules with occupancies of 0.52 (5) and 0.48 (5). In the crystal, the component ions are linked into chains along [100] by two different bifurcated N-H⋯(O,O) hydrogen bonds. In addition, weak C-H⋯O hydrogen bonds link inversion-related chains, forming columns along [100].
College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Ping
P
Su
College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Xue-Gang
XG
Song
College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Ren-Qiang
RQ
Sun
College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
Xing-Man
XM
Xu
crystal structure; hydrogen bonding; organic salt; picric acid; pyrazole