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...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2014
|
| Subjects: | |
| Online Access: | http://eprints.usm.my/37963/1/4-%282-Methoxyphenyl%29piperazin-1-ium.pdf |
| _version_ | 1825833760908640256 |
|---|---|
| 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 |
| collection | USM |
| 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. |
| first_indexed | 2024-03-06T15:12:37Z |
| format | Article |
| id | usm.eprints-37963 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:12:37Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-379632017-12-19T02:21:52Z 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 |
| 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 |
| 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 | QC1-999 Physics |
| url | http://eprints.usm.my/37963/1/4-%282-Methoxyphenyl%29piperazin-1-ium.pdf |
| work_keys_str_mv | AT amalomaryfatmah 42methoxyphenylpiperazin1ium6chloro5isopropyl24dioxopyrimidin1ide AT aghabbourhazem 42methoxyphenylpiperazin1ium6chloro5isopropyl24dioxopyrimidin1ide AT aelemamali 42methoxyphenylpiperazin1ium6chloro5isopropyl24dioxopyrimidin1ide AT chidankumarcs 42methoxyphenylpiperazin1ium6chloro5isopropyl24dioxopyrimidin1ide AT hoongkunfun 42methoxyphenylpiperazin1ium6chloro5isopropyl24dioxopyrimidin1ide |