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

In the cation of the title salt, C11H17N2O+.C7H8ClN2O2 -, 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...

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Main Authors: A. M. Al-Omary, Fatmah, A. Ghabbour, Hazem, A. El-Emam, Ali, Chidan Kumar, C. S., Hoong, Kun Fun
Format: Article
Language:English
Published: International Union of Crystallography 2014
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Online Access:http://eprints.usm.my/37963/1/4-%282-Methoxyphenyl%29piperazin-1-ium.pdf
http://eprints.usm.my/37963/
https://doi.org/10.1107/S1600536814002256
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spelling my.usm.eprints.37963 http://eprints.usm.my/37963/ 4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide A. M. Al-Omary, Fatmah A. Ghabbour, Hazem A. El-Emam, Ali Chidan Kumar, C. S. Hoong, Kun Fun QC1-999 Physics In the cation of the title salt, C11H17N2O+.C7H8ClN2O2 -, 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 twodimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C—H...n interactions. International Union of Crystallography 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/37963/1/4-%282-Methoxyphenyl%29piperazin-1-ium.pdf A. M. Al-Omary, Fatmah and A. Ghabbour, Hazem and A. El-Emam, Ali and Chidan Kumar, C. S. and Hoong, Kun Fun (2014) 4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide. Acta Crystallographica Section E, 2014 (70). 0245-0254. ISSN 1600-5368 https://doi.org/10.1107/S1600536814002256
institution Universiti Sains Malaysia
building Hamzah Sendut Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Sains Malaysia
content_source USM Institutional Repository
url_provider http://eprints.usm.my/
language English
topic QC1-999 Physics
spellingShingle QC1-999 Physics
A. M. Al-Omary, Fatmah
A. Ghabbour, Hazem
A. El-Emam, Ali
Chidan Kumar, C. S.
Hoong, Kun Fun
4-(2-Methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
description In the cation of the title salt, C11H17N2O+.C7H8ClN2O2 -, 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 twodimensional network parallel to the ab plane. The crystal stability is further consolidated by weak C—H...n interactions.
format Article
author A. M. Al-Omary, Fatmah
A. Ghabbour, Hazem
A. El-Emam, Ali
Chidan Kumar, C. S.
Hoong, Kun Fun
author_facet A. M. Al-Omary, Fatmah
A. Ghabbour, Hazem
A. El-Emam, Ali
Chidan Kumar, C. S.
Hoong, Kun Fun
author_sort A. M. Al-Omary, Fatmah
title 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_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_sort 4-(2-methoxyphenyl)piperazin-1-ium 6-chloro-5-isopropyl-2,4-dioxopyrimidin-1-ide
publisher International Union of Crystallography
publishDate 2014
url http://eprints.usm.my/37963/1/4-%282-Methoxyphenyl%29piperazin-1-ium.pdf
http://eprints.usm.my/37963/
https://doi.org/10.1107/S1600536814002256
_version_ 1643709218636693504
score 13.211869