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4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide

In the cation of the title salt, C(11)H(17)N(2)O(+)·C(7)H(8)ClN(2)O(2) (−), the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. Its mean plane makes a dihedral angle of 42.36 (8)° with the phenyl ring of its 2-meth­oxy­phenyl...

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Autores principales: Al-Omary, Fatmah A. M., Ghabbour, Hazem A., El-Emam, Ali A., Chidan Kumar, C. S., Fun, Hoong-Kun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998442/
https://www.ncbi.nlm.nih.gov/pubmed/24764966
http://dx.doi.org/10.1107/S1600536814002256
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author Al-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
author_facet Al-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
author_sort Al-Omary, Fatmah A. M.
collection PubMed
description In the cation of the title salt, C(11)H(17)N(2)O(+)·C(7)H(8)ClN(2)O(2) (−), the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. Its mean plane makes a dihedral angle of 42.36 (8)° with the phenyl ring of its 2-meth­oxy­phenyl substituent. The 2,4-dioxopyrimidin-1-ide anion is generated by deprotonation of the N atom at the 1-position of the pyrimidine­dione ring. Intra­molecular C—H⋯O hydrogen bonds generate S(6) ring motifs in both the cation and the anion. In the crystal, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds are also observed, resulting in a two-dimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C—H⋯π inter­actions.
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spelling pubmed-39984422014-04-24 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide Al-Omary, Fatmah A. M. Ghabbour, Hazem A. El-Emam, Ali A. Chidan Kumar, C. S. Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers In the cation of the title salt, C(11)H(17)N(2)O(+)·C(7)H(8)ClN(2)O(2) (−), the piperazine ring adopts a distorted chair conformation and contains a positively charged N atom with quaternary character. Its mean plane makes a dihedral angle of 42.36 (8)° with the phenyl ring of its 2-meth­oxy­phenyl substituent. The 2,4-dioxopyrimidin-1-ide anion is generated by deprotonation of the N atom at the 1-position of the pyrimidine­dione ring. Intra­molecular C—H⋯O hydrogen bonds generate S(6) ring motifs in both the cation and the anion. In the crystal, N—H⋯O, N—H⋯N and C—H⋯O hydrogen bonds are also observed, resulting in a two-dimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C—H⋯π inter­actions. International Union of Crystallography 2014-02-05 /pmc/articles/PMC3998442/ /pubmed/24764966 http://dx.doi.org/10.1107/S1600536814002256 Text en © Al-Omary 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
Al-Omary, Fatmah A. M.
Ghabbour, Hazem A.
El-Emam, Ali A.
Chidan Kumar, C. S.
Fun, Hoong-Kun
4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title_full 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title_fullStr 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title_full_unstemmed 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title_short 4-(2-Meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
title_sort 4-(2-meth­oxy­phen­yl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998442/
https://www.ncbi.nlm.nih.gov/pubmed/24764966
http://dx.doi.org/10.1107/S1600536814002256
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