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

Acta Crystallogr E Crystallogr Commun

University of Innsbruck, Faculty of Chemistry and Pharmacy, Innrain 80, 6020 Innsbruck, Austria.

Published: December 2015

The title compound, C12H11N5·2H2O, which crystallizes as a dihydrate, was obtained by Cu(I)-catalysed azide-alkyne cyclo-addition from 2-azido-1-methyl-imidazole and phenyl-ethyne. 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 mol-ecules are connected into [010] chains by O-H⋯O hydrogen bonds, while O-H⋯N hydrogen bonds connect the water mol-ecules to the organic mol-ecules, generating corrugated (100) sheets.

Download full-text PDF

Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719915PMC
http://dx.doi.org/10.1107/S2056989015020721DOI Listing

Publication Analysis

Top Keywords

rms deviation
8
water mol-ecules
8
hydrogen bonds
8
crystal structure
4
structure 1-1-methyl-1h-imidazol-2-yl-4-phenyl-1h-123-triazole
4
1-1-methyl-1h-imidazol-2-yl-4-phenyl-1h-123-triazole dihydrate
4
dihydrate title
4
title compound
4
compound c12h11n5·2h2o
4
c12h11n5·2h2o crystallizes
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!