2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate

Ihe title salt, C(8)H(6)F(3)N(2) (+)·NO(3) (−), the F atoms of the triflouromethyl group are disordered over two sets of sites in a 0.58 (2):0.42 (2) ratio. In the crystal, N—H⋯O hydrogen bonds link the cations and anions into chains running parallel to the b axis. There is π–π stacking between symm...

Descripción completa

Detalles Bibliográficos
Autor principal: Liu, Ming-Liang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343977/
https://www.ncbi.nlm.nih.gov/pubmed/22589886
http://dx.doi.org/10.1107/S1600536812009415
_version_ 1782231887442345984
author Liu, Ming-Liang
author_facet Liu, Ming-Liang
author_sort Liu, Ming-Liang
collection PubMed
description Ihe title salt, C(8)H(6)F(3)N(2) (+)·NO(3) (−), the F atoms of the triflouromethyl group are disordered over two sets of sites in a 0.58 (2):0.42 (2) ratio. In the crystal, N—H⋯O hydrogen bonds link the cations and anions into chains running parallel to the b axis. There is π–π stacking between symmetry-related benzene rings with a centroid-centroid distance of 3.949 (3) Å. The crystal studied was a non-merohedral twin, with a 19% minor component.
format Online
Article
Text
id pubmed-3343977
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33439772012-05-15 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate Liu, Ming-Liang Acta Crystallogr Sect E Struct Rep Online Organic Papers Ihe title salt, C(8)H(6)F(3)N(2) (+)·NO(3) (−), the F atoms of the triflouromethyl group are disordered over two sets of sites in a 0.58 (2):0.42 (2) ratio. In the crystal, N—H⋯O hydrogen bonds link the cations and anions into chains running parallel to the b axis. There is π–π stacking between symmetry-related benzene rings with a centroid-centroid distance of 3.949 (3) Å. The crystal studied was a non-merohedral twin, with a 19% minor component. International Union of Crystallography 2012-03-10 /pmc/articles/PMC3343977/ /pubmed/22589886 http://dx.doi.org/10.1107/S1600536812009415 Text en © Ming-Liang Liu 2012 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 Organic Papers
Liu, Ming-Liang
2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title_full 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title_fullStr 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title_full_unstemmed 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title_short 2-Trifluoro­methyl-1H-benzimidazol-3-ium nitrate
title_sort 2-trifluoro­methyl-1h-benzimidazol-3-ium nitrate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343977/
https://www.ncbi.nlm.nih.gov/pubmed/22589886
http://dx.doi.org/10.1107/S1600536812009415
work_keys_str_mv AT liumingliang 2trifluoromethyl1hbenzimidazol3iumnitrate

Ejemplares similares