Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate

The title compound, C(12)H(18)N(4)O(2), crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H⋯O hydrogen bonds are observed, forming chains alo...

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Autores principales: Yamuna, Thammarse S., Jasinski, Jerry P., Kaur, Manpreet, Anderson, Brian J., Yathirajan, H.S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186175/
https://www.ncbi.nlm.nih.gov/pubmed/25309227
http://dx.doi.org/10.1107/S1600536814018972
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author Yamuna, Thammarse S.
Jasinski, Jerry P.
Kaur, Manpreet
Anderson, Brian J.
Yathirajan, H.S.
author_facet Yamuna, Thammarse S.
Jasinski, Jerry P.
Kaur, Manpreet
Anderson, Brian J.
Yathirajan, H.S.
author_sort Yamuna, Thammarse S.
collection PubMed
description The title compound, C(12)H(18)N(4)O(2), crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H⋯O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C—H⋯O inter­actions, which generate a three-dimensional network.
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spelling pubmed-41861752014-10-12 Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate Yamuna, Thammarse S. Jasinski, Jerry P. Kaur, Manpreet Anderson, Brian J. Yathirajan, H.S. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(12)H(18)N(4)O(2), crystallizes in the zwitterionic form with protonation at the N atom of the piperazine ring bearing the carboxylate group. The piperazine ring adopts a slightly distorted chair conformation. In the crystal, N—H⋯O hydrogen bonds are observed, forming chains along [010]. The packing is consolidated by C—H⋯O inter­actions, which generate a three-dimensional network. International Union of Crystallography 2014-08-30 /pmc/articles/PMC4186175/ /pubmed/25309227 http://dx.doi.org/10.1107/S1600536814018972 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 Data Reports
Yamuna, Thammarse S.
Jasinski, Jerry P.
Kaur, Manpreet
Anderson, Brian J.
Yathirajan, H.S.
Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title_full Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title_fullStr Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title_full_unstemmed Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title_short Crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
title_sort crystal structure of 3-[4-(pyrimidin-2-yl)piperazin-1-ium-1-yl]butano­ate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186175/
https://www.ncbi.nlm.nih.gov/pubmed/25309227
http://dx.doi.org/10.1107/S1600536814018972
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