Acta Crystallographica Section E: Crystallographic Communications | |
Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate | |
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
【 预 览 】
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