3-Benzyl-6-isopropyl-5-phen­oxy-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one

In the title compound, C(20)H(19)N(5)O(2), 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 sp (2) hybridized and ten π electrons (three fr...

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Detalles Bibliográficos
Autores principales: Deng, Shou-Heng, Wang, Hong-Mei, Chen, Ping, Ma, Jun-Kai, Cao, Feng-Jun
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971348/
https://www.ncbi.nlm.nih.gov/pubmed/21578326
http://dx.doi.org/10.1107/S160053680904118X
Descripción
Sumario:In the title compound, C(20)H(19)N(5)O(2), 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 sp (2) 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.

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