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6-Butyl-5-(4-methyl­phen­oxy)-3-phenyl-3H-1,2,3-triazolo[4,5-d]pyrimidin-7(6H)-one

In the title compound, C(21)H(21)N(5)O(2), the triazolopyrimidine ring system is essentially planar [maximum displacement = 0.021 (4) Å] and forms dihedral angles of 41.17 (9) and 67.99 (8)° with the phenyl and benzene rings, respectively. The n-butyl side chains is disordered over two positions wit...

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Detalles Bibliográficos
Autores principales: Wang, Hong-Mei, Deng, Shou-Heng, Zeng, Xiao-Hua, Chen, Ping, Chen, Li-Li
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009374/
https://www.ncbi.nlm.nih.gov/pubmed/21589155
http://dx.doi.org/10.1107/S160053681004300X
Descripción
Sumario:In the title compound, C(21)H(21)N(5)O(2), the triazolopyrimidine ring system is essentially planar [maximum displacement = 0.021 (4) Å] and forms dihedral angles of 41.17 (9) and 67.99 (8)° with the phenyl and benzene rings, respectively. The n-butyl side chains is disordered over two positions with an ccupancy ratio of 0.77:0.23. An intra­molecular C—H⋯O hydrogen-bonding inter­action stabilizes the mol­ecular conformation. In the crystal, mol­ecules are linked by inter­molecular C—H⋯O and C—H⋯N hydrogen bonds into a three-dimensional network. In addition, π–π stacking inter­actions involving the triazole and pyrimidine rings of adjacent mol­ecules are observed, with centroid–centroid distances of 3.545 (1) Å.