Cargando…

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...

Descripción completa

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
_version_ 1782437708940967936
author Su, Ping
Song, Xue-gang
Sun, Ren-qiang
Xu, Xing-man
author_facet Su, Ping
Song, Xue-gang
Sun, Ren-qiang
Xu, Xing-man
author_sort Su, Ping
collection PubMed
description 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].
format Online
Article
Text
id pubmed-4908572
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-49085722016-06-15 Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate Su, Ping Song, Xue-gang Sun, Ren-qiang Xu, Xing-man Acta Crystallogr E Crystallogr Commun Research Communications 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]. International Union of Crystallography 2016-05-27 /pmc/articles/PMC4908572/ /pubmed/27308060 http://dx.doi.org/10.1107/S2056989016008215 Text en © Su et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Su, Ping
Song, Xue-gang
Sun, Ren-qiang
Xu, Xing-man
Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title_full Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title_fullStr Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title_full_unstemmed Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title_short Hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
title_sort hydrogen bonding in the crystal structure of the molecular salt of pyrazole–pyrazolium picrate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4908572/
https://www.ncbi.nlm.nih.gov/pubmed/27308060
http://dx.doi.org/10.1107/S2056989016008215
work_keys_str_mv AT suping hydrogenbondinginthecrystalstructureofthemolecularsaltofpyrazolepyrazoliumpicrate
AT songxuegang hydrogenbondinginthecrystalstructureofthemolecularsaltofpyrazolepyrazoliumpicrate
AT sunrenqiang hydrogenbondinginthecrystalstructureofthemolecularsaltofpyrazolepyrazoliumpicrate
AT xuxingman hydrogenbondinginthecrystalstructureofthemolecularsaltofpyrazolepyrazoliumpicrate