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

The title compound, C13H12ClN7, 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)=CH2 atoms were resolved over two positions with the major component having a site occupancy factor of 0.539 (4).

Abstract licence: CC BY

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