Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate

Acta Crystallographica Section E: Crystallographic Communications

Sun, R.¹  Su, P.¹  Song, X.¹  Xu, X.¹ 

[1] College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China

关键词: CRYSTAL STRUCTURE;    ORGANIC SALT;    PYRAZOLE;    PICRIC ACID;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989016008215

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-tri­nitro­phenolate–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 mol­ecules 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].

【 授权许可】

CC BY