Acta Crystallographica Section E: Crystallographic Communications | |
Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate | |
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
【 预 览 】
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