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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-tri­nitro­phenolate–1H-pyrazole (1/1)], H(C(3)H(4)N(2))(2) (+)·C(6)H(2)N(3)O(7) (−), consists of one picrate anion and one hydrogen-bonded dimer of a pyrazolium monocation. The H atom involved in the dimer N—H⋯N h...

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Detalles Bibliográficos
Autores principales: Su, Ping, Song, Xue-gang, Sun, Ren-qiang, Xu, Xing-man
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908572/
https://www.ncbi.nlm.nih.gov/pubmed/27308060
http://dx.doi.org/10.1107/S2056989016008215
Descripción
Sumario:The asymmetric unit of the title organic salt [systematic name: 1H-pyrazol-2-ium 2,4,6-tri­nitro­phenolate–1H-pyrazole (1/1)], H(C(3)H(4)N(2))(2) (+)·C(6)H(2)N(3)O(7) (−), 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].