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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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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 |
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