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

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 ?-? 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.

SUBMITTER: Bai XG 

PROVIDER: S-EPMC4120607 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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

Bai Xiao-Guang XG   Feng Chao C  

Acta crystallographica. Section E, Structure reports online 20140607 Pt 7

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), 3.8  ...[more]

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