Cargando…

4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate

In the cation of the title salt, C(8)H(13)N(4) (+)·C(4)H(3)O(4) (−), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O—H⋯O inter­molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linke...

Descripción completa

Detalles Bibliográficos
Autores principales: Yamuna, Thammarse S., Kaur, Manpreet, 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/PMC4051061/
https://www.ncbi.nlm.nih.gov/pubmed/24940275
http://dx.doi.org/10.1107/S1600536814011489
_version_ 1782320050584158208
author Yamuna, Thammarse S.
Kaur, Manpreet
Jasinski, Jerry P.
Yathirajan, H. S.
author_facet Yamuna, Thammarse S.
Kaur, Manpreet
Jasinski, Jerry P.
Yathirajan, H. S.
author_sort Yamuna, Thammarse S.
collection PubMed
description In the cation of the title salt, C(8)H(13)N(4) (+)·C(4)H(3)O(4) (−), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O—H⋯O inter­molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linked by the cations, via N—H⋯O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak π–π inter­actions [centroid–centroid distance = 3.820 (9) Å] present involving inversion-related pyrimidine rings.
format Online
Article
Text
id pubmed-4051061
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-40510612014-06-17 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate Yamuna, Thammarse S. Kaur, Manpreet Jasinski, Jerry P. Yathirajan, H. S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt, C(8)H(13)N(4) (+)·C(4)H(3)O(4) (−), the piperazinium ring adopts a slightly distorteded chair conformation. In the crystal, a single strong O—H⋯O inter­molecular hydrogen bond links the anions, forming chains along the c-axis direction. The chains of anions are linked by the cations, via N—H⋯O hydrogen bonds, forming sheets parallel to (100). These layers are linked by weak C—H⋯O hydrogen bonds, forming a three-dimensional structure. In addition, there are weak π–π inter­actions [centroid–centroid distance = 3.820 (9) Å] present involving inversion-related pyrimidine rings. International Union of Crystallography 2014-05-24 /pmc/articles/PMC4051061/ /pubmed/24940275 http://dx.doi.org/10.1107/S1600536814011489 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
Jasinski, Jerry P.
Yathirajan, H. S.
4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title_full 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title_fullStr 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title_full_unstemmed 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title_short 4-(Pyrimidin-2-yl)piperazin-1-ium (E)-3-carb­oxy­prop-2-enoate
title_sort 4-(pyrimidin-2-yl)piperazin-1-ium (e)-3-carb­oxy­prop-2-enoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4051061/
https://www.ncbi.nlm.nih.gov/pubmed/24940275
http://dx.doi.org/10.1107/S1600536814011489
work_keys_str_mv AT yamunathammarses 4pyrimidin2ylpiperazin1iume3carboxyprop2enoate
AT kaurmanpreet 4pyrimidin2ylpiperazin1iume3carboxyprop2enoate
AT jasinskijerryp 4pyrimidin2ylpiperazin1iume3carboxyprop2enoate
AT yathirajanhs 4pyrimidin2ylpiperazin1iume3carboxyprop2enoate