Acta Crystallographica Section E (Dec 2009)

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

  • Hong Luo,
  • Jun-Kai Ma,
  • Jing Xu,
  • Dong-Feng Pan,
  • Zuan Ma

DOI
https://doi.org/10.1107/S1600536809048168
Journal volume & issue
Vol. 65, no. 12
pp. o3195 – o3195

Abstract

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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).