Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl-ate

Xiao-Guang Bai; Chao Feng

doi:10.1107/S1600536814012380

Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl-ate

Acta Crystallogr Sect E Struct Rep Online. 2014 Jun 7;70(Pt 7):o755. doi: 10.1107/S1600536814012380. eCollection 2014 Jul 1.

Authors

Xiao-Guang Bai¹, Chao Feng²

Affiliations

¹ Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, People's Republic of China.
² School of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of China.

Abstract

The asymmetric unit of the title compound, C8H9N5O2, contains two independent mol-ecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, mol-ecules are linked by N-H⋯N hydrogen bonds into supra-molecular independent A and B chains propagating along the b-axis direction. The crystal structure also features π-π stacking between the aromatic rings of adjacent chains, the centroid-centroid separations being 3.8001 (15), 3.8078 (17), 3.8190 (14) and 3.8421 (15) Å.