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

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.

SUBMITTER: Bunev AS

PROVIDER: S-EPMC4120528 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature

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

Bunev Alexander S AS Troshina Marina A MA Ostapenko Gennady I GI Pavlova Andzhela P AP Khrustalev Victor N VN

Acta crystallographica. Section E, Structure reports online 20140625 Pt 7

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 [3.599 ...[more]

PMID: 25161595

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