3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one
In the title compound, C20H19N5O2, all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp2 hybridized...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2009-11-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S160053680904118X |
| _version_ | 1818283880563605504 |
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| author | Shou-Heng Deng Hong-Mei Wang Ping Chen Jun-Kai Ma Feng-Jun Cao |
| author_facet | Shou-Heng Deng Hong-Mei Wang Ping Chen Jun-Kai Ma Feng-Jun Cao |
| author_sort | Shou-Heng Deng |
| collection | DOAJ |
| description | In the title compound, C20H19N5O2, all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp2 hybridized and ten π electrons (three from carbon atoms and seven from nitrogen atoms) constitute an aromatic heterocycle. The ring system forms dihedral angles of 68.37 (10) and 71.57 (9)° with the phenyl rings. The crystal packing is stabilized by van der Waals interactions and intermolecular C—H...π interactions. |
| first_indexed | 2024-12-13T00:43:56Z |
| format | Article |
| id | doaj.art-3563a07122924578bf0c1ad0f69ffd52 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T00:43:56Z |
| publishDate | 2009-11-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-3563a07122924578bf0c1ad0f69ffd522022-12-22T00:05:04ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-11-016511o2730o273110.1107/S160053680904118X3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-oneShou-Heng DengHong-Mei WangPing ChenJun-Kai MaFeng-Jun CaoIn the title compound, C20H19N5O2, all atoms of the 1,2,3-triazolo[4,5-d]pyrimidine ring system are essentially coplanar [maximum deviation = 0.015 (2) Å], indicating the existence of a conjugate system in which each carbon and nitrogen atom is sp2 hybridized and ten π electrons (three from carbon atoms and seven from nitrogen atoms) constitute an aromatic heterocycle. The ring system forms dihedral angles of 68.37 (10) and 71.57 (9)° with the phenyl rings. The crystal packing is stabilized by van der Waals interactions and intermolecular C—H...π interactions.http://scripts.iucr.org/cgi-bin/paper?S160053680904118X |
| spellingShingle | Shou-Heng Deng Hong-Mei Wang Ping Chen Jun-Kai Ma Feng-Jun Cao 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one Acta Crystallographica Section E |
| title | 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one |
| title_full | 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one |
| title_fullStr | 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one |
| title_full_unstemmed | 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one |
| title_short | 3-Benzyl-6-isopropyl-5-phenoxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one |
| title_sort | 3 benzyl 6 isopropyl 5 phenoxy 3h 1 2 3 triazolo 4 5 d pyrimidin 7 6h one |
| url | http://scripts.iucr.org/cgi-bin/paper?S160053680904118X |
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