Cargando…

5-Amino-1H-pyrazol-2-ium hydrogen succinate

In the cation of the title salt, C(3)H(6)N(3) (+)·C(4)H(5)O(4) (−), the protonated pyrazolium ring is planar (r.m.s. deviation = 0.012 Å). An intra­molecular C—H⋯O hydrogen bond occurs in the anion. In the crystal, N—H⋯O hydrogen bonds and a weak C—H⋯O inter­action between the cations and anions for...

Descripción completa

Detalles Bibliográficos
Autores principales: Yamuna, Thammarse S., Kaur, Manpreet, Anderson, Brian J., Jasinski, Jerry P., Yathirajan, H. S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998361/
https://www.ncbi.nlm.nih.gov/pubmed/24764922
http://dx.doi.org/10.1107/S1600536814001615
_version_ 1782313345825636352
author Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H. S.
author_facet Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H. S.
author_sort Yamuna, Thammarse S.
collection PubMed
description In the cation of the title salt, C(3)H(6)N(3) (+)·C(4)H(5)O(4) (−), the protonated pyrazolium ring is planar (r.m.s. deviation = 0.012 Å). An intra­molecular C—H⋯O hydrogen bond occurs in the anion. In the crystal, N—H⋯O hydrogen bonds and a weak C—H⋯O inter­action between the cations and anions form two sets of R (2) (2)(8) graph-set ring motifs. Inter­molecular O—H⋯O hydrogen bonds between these lead to a criss-cross pattern along the b axis. In addition to the classical hydrogen bonds, a weak C—H⋯π(pyrazolium) inter­action is observed and contributes to crystal packing. All of these inter­actions link the mol­ecules into a two-dimensional supra­molecular framework parallel to (10-1).
format Online
Article
Text
id pubmed-3998361
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-39983612014-04-24 5-Amino-1H-pyrazol-2-ium hydrogen succinate Yamuna, Thammarse S. Kaur, Manpreet Anderson, Brian J. Jasinski, Jerry P. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt, C(3)H(6)N(3) (+)·C(4)H(5)O(4) (−), the protonated pyrazolium ring is planar (r.m.s. deviation = 0.012 Å). An intra­molecular C—H⋯O hydrogen bond occurs in the anion. In the crystal, N—H⋯O hydrogen bonds and a weak C—H⋯O inter­action between the cations and anions form two sets of R (2) (2)(8) graph-set ring motifs. Inter­molecular O—H⋯O hydrogen bonds between these lead to a criss-cross pattern along the b axis. In addition to the classical hydrogen bonds, a weak C—H⋯π(pyrazolium) inter­action is observed and contributes to crystal packing. All of these inter­actions link the mol­ecules into a two-dimensional supra­molecular framework parallel to (10-1). International Union of Crystallography 2014-01-29 /pmc/articles/PMC3998361/ /pubmed/24764922 http://dx.doi.org/10.1107/S1600536814001615 Text en © Yamuna et al. 2014 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
Yamuna, Thammarse S.
Kaur, Manpreet
Anderson, Brian J.
Jasinski, Jerry P.
Yathirajan, H. S.
5-Amino-1H-pyrazol-2-ium hydrogen succinate
title 5-Amino-1H-pyrazol-2-ium hydrogen succinate
title_full 5-Amino-1H-pyrazol-2-ium hydrogen succinate
title_fullStr 5-Amino-1H-pyrazol-2-ium hydrogen succinate
title_full_unstemmed 5-Amino-1H-pyrazol-2-ium hydrogen succinate
title_short 5-Amino-1H-pyrazol-2-ium hydrogen succinate
title_sort 5-amino-1h-pyrazol-2-ium hydrogen succinate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998361/
https://www.ncbi.nlm.nih.gov/pubmed/24764922
http://dx.doi.org/10.1107/S1600536814001615
work_keys_str_mv AT yamunathammarses 5amino1hpyrazol2iumhydrogensuccinate
AT kaurmanpreet 5amino1hpyrazol2iumhydrogensuccinate
AT andersonbrianj 5amino1hpyrazol2iumhydrogensuccinate
AT jasinskijerryp 5amino1hpyrazol2iumhydrogensuccinate
AT yathirajanhs 5amino1hpyrazol2iumhydrogensuccinate