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Crystal structure of 1-(1-methyl-1H-imidazol-2-yl)-4-phenyl-1H-1,2,3-triazole dihydrate
The title compound, C(12)H(11)N(5)·2H(2)O, which crystallizes as a dihydrate, was obtained by Cu(I)-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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719915/ https://www.ncbi.nlm.nih.gov/pubmed/26870543 http://dx.doi.org/10.1107/S2056989015020721 |
Sumario: | The title compound, C(12)H(11)N(5)·2H(2)O, which crystallizes as a dihydrate, was obtained by Cu(I)-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. |
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