6-Allyl-3-(6-chloro-3-pyridylmeth­yl)-6,7-dihydro-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-imine

The title compound, C(13)H(12)ClN(7), crystallizes with two independent mol­ecules in the asymmetric unit, each with similar geometries. The dihedral angles between the triazole and pyrimidine rings are 0.45 (9) and 1.00 (10)° in the two mol­ecules. A number of N—H⋯N hydrogen bonds co-operate with C...

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Detalles Bibliográficos
Autores principales: Pan, Dong-Feng, Xu, Jing, Ma, Jun-Kai, Luo, Hong, Ma, Zuan
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971826/
https://www.ncbi.nlm.nih.gov/pubmed/21578906
http://dx.doi.org/10.1107/S1600536809048168
Descripción
Sumario:The title compound, C(13)H(12)ClN(7), crystallizes with two independent mol­ecules in the asymmetric unit, each with similar geometries. The dihedral angles between the triazole and pyrimidine rings are 0.45 (9) and 1.00 (10)° in the two mol­ecules. A number of N—H⋯N hydrogen bonds co-operate with C–H⋯N contacts, forming a supra­molecular array in the ab plane. C—H⋯π inter­actions are also present. One of the vinyl groups was found to be disordered so that the C(H)=CH(2) atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4).

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