Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate

Acta Crystallographica Section E: Crystallographic Communications

Haslinger, S.¹  Wurst, K.¹  Schottenberger, H.¹  Laus, G.¹ 

[1] University of Innsbruck, Faculty of Chemistry and Pharmacy, Innrain 80, 6020 Innsbruck, Austria

关键词: CRYSTAL STRUCTURE;    1H-IMIDAZOLE;    1,2,3-TRIAZOLE;    HYDRATE;    HYDROGEN BONDING;   

DOI  :  10.1107/S2056989015020721

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by CuI-catalysed azide–alkyne cyclo­addition from 2-azido-1-methyl­imidazole and phenyl­ethyne. The dihedral angles between the central triazole ring (r.m.s. deviation = 0.004 Å) and the pendant imidazole (r.m.s. deviation = 0.006 Å) and phenyl rings are 12.3 (2) and 2.54 (19)°, respectively. In the crystal, the water mol­ecules are connected into [010] chains by O—H⋯O hydrogen bonds, while O—H⋯N hydrogen bonds connect the water mol­ecules to the organic mol­ecules, generating corrugated (100) sheets.

【 授权许可】

CC BY