2-Bromo-1-[1-(4-bromo-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone

Alexander S Bunev; Marina A Troshina; Gennady I Ostapenko; Andzhela P Pavlova; Victor N Khrustalev

doi:10.1107/S1600536814014603

2-Bromo-1-[1-(4-bromo-phen-yl)-5-methyl-1H-1,2,3-triazol-4-yl]ethanone

Acta Crystallogr Sect E Struct Rep Online. 2014 Jun 25;70(Pt 7):o818. doi: 10.1107/S1600536814014603. eCollection 2014 Jul 1.

Authors

Alexander S Bunev¹, Marina A Troshina¹, Gennady I Ostapenko¹, Andzhela P Pavlova², Victor N Khrustalev³

Affiliations

¹ Department of Chemistry and Chemical Technology, Togliatti State University, 14 Belorusskaya St, Togliatti 445667, Russian Federation.
² Department of General and Theoretical Physics, Togliatti State University, 14 Belorusskaya St, Togliatti 445667, Russian Federation.
³ X-Ray Structural Centre, A.N. Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences, 28 Vavilov Street, B-334, Moscow 119991, Russian Federation.

Abstract

The asymmetric unit of the title compound, C11H9Br2N3O, contains two crystallographically independent mol-ecules with similar geometries; the Br-C-C=O torsion angles are 1.2 (4) and -2.8 (4)°, and the benzene and triazole rings are inclined o one another by 51.90 (16) and 51.88 (16)°. The two molecules are related by a pseudo-screw 21 axis directed along [100]. In the crystal, mol-ecules are linked into a three-dimensional network by weak C-H⋯O and C-H⋯N hydrogen bonds and secondary Br⋯Br [3.5991 (8) and 3.6503 (9) Å] inter-actions.

Keywords: crystal structure.