5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate
The title compound, C18H18N3O+·PF6−, is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N—CH—N group in the triazolium ring conforms...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809018005 |
| _version_ | 1818284515591716864 |
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| author | Yumin Huang Siping Wei Zhen Wang Zhihua Mao Xiaoyu Su |
| author_facet | Yumin Huang Siping Wei Zhen Wang Zhihua Mao Xiaoyu Su |
| author_sort | Yumin Huang |
| collection | DOAJ |
| description | The title compound, C18H18N3O+·PF6−, is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N—CH—N group in the triazolium ring conforms to a typical three-center/four-electron bond (also known as the Pimentel–Rundle three-center model). The structure is completed by a disordered PF6− counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which interacts with the main molecule through weak intermolecular P—F...π interactions. |
| first_indexed | 2024-12-13T00:54:02Z |
| format | Article |
| id | doaj.art-97ea6d395f164992ad622c285ad75f9d |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:54:02Z |
| publishDate | 2009-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-97ea6d395f164992ad622c285ad75f9d2022-12-22T00:04:51ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1328o132810.1107/S16005368090180055-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphateYumin HuangSiping WeiZhen WangZhihua MaoXiaoyu SuThe title compound, C18H18N3O+·PF6−, is a chiral bicyclic 1,2,4-triazolium salt which contains four rings, viz. a triazolium, a morpholine and two phenyl rings. Analysis of bond lengths shows that the N—CH—N group in the triazolium ring conforms to a typical three-center/four-electron bond (also known as the Pimentel–Rundle three-center model). The structure is completed by a disordered PF6− counter-ion [occupancies of F atoms 0.678 (8):0.322 (8)], which interacts with the main molecule through weak intermolecular P—F...π interactions.http://scripts.iucr.org/cgi-bin/paper?S1600536809018005 |
| spellingShingle | Yumin Huang Siping Wei Zhen Wang Zhihua Mao Xiaoyu Su 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate Acta Crystallographica Section E |
| title | 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate |
| title_full | 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate |
| title_fullStr | 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate |
| title_full_unstemmed | 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate |
| title_short | 5-Benzyl-2-phenyl-6,8-dihydro-5H-1,2,4-triazolo[3,4-c][1,4]oxazin-2-ium hexafluoridophosphate |
| title_sort | 5 benzyl 2 phenyl 6 8 dihydro 5h 1 2 4 triazolo 3 4 c 1 4 oxazin 2 ium hexafluoridophosphate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809018005 |
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