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Crystal structure of (S)-5,7-diphenyl-4,7-di­hydro­tetra­zolo[1,5-a]pyrimidine

The title compound, C(16)H(13)N(5), was synthesized by coupling amino­tetra­zole with chalcone in the presence of an amine organocatalyst derived from chincona alkaloid. There are two mol­ecules, A and B, in the asymmetric unit. In mol­ecule A, the dihedral angles between the partly hydrogenated pyr...

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Detalles Bibliográficos
Autores principales: Price, Ivy K., Rougeot, Celine, Hein, Jason E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4438826/
https://www.ncbi.nlm.nih.gov/pubmed/26029423
http://dx.doi.org/10.1107/S2056989015002996
Descripción
Sumario:The title compound, C(16)H(13)N(5), was synthesized by coupling amino­tetra­zole with chalcone in the presence of an amine organocatalyst derived from chincona alkaloid. There are two mol­ecules, A and B, in the asymmetric unit. In mol­ecule A, the dihedral angles between the partly hydrogenated pyrimidine ring system (r.m.s. deviation = 0.056 Å) and the sp (2)- and sp (3)-bonded phenyl groups are 33.32 (11) and 86.53 (11)°, respectively. The equivalent data for mol­ecule B are 0.049 Å, and 27.05 (10) and 85.27 (11)°, respectively. In the crystal, A+B dimers linked by pairs of N—H⋯N hydrogen bonds generate R (2) (2)(8) loops. The dimers are linked by aromatic π–π stacking inter­actions [shortest centroid–centroid separation = 3.5367 (15) Å], which results in a three-dimensional network.