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3-(4-Bromo-phen-yl)-1-butyl-5-[1-(2-chloro-6-methyl-phen-yl)-1H-tetra-zol-5-yl]imidazolidine-2,4-dione.

ABSTRACT: In the title mol-ecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84?(7)° with the tetra-zole ring and the bromo-substituted ring forms a dihedral angle of 43.95?(6)° with the imidazole ring. The dihedral angle between the tetra-zole and imidazole rings is 67.42?(8)°. The terminal methyl group of the butyl substituent is disordered over two sets of sites, with refined occupancies 0.67?(3) and 0.33?(3). In the crystal, there is a short Br?N contact of 3.183?(2)?Å.

SUBMITTER: Hall GB

PROVIDER: S-EPMC3770378 | biostudies-other | 2013

REPOSITORIES: biostudies-other

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3-(4-Bromo-phen-yl)-1-butyl-5-[1-(2-chloro-6-methyl-phen-yl)-1H-tetra-zol-5-yl]imidazolidine-2,4-dione.

Hall Gabriel B GB Medda Federico F Roberts Sue A SA Hulme Christopher C

Acta crystallographica. Section E, Structure reports online 20130615 Pt 7

In the title mol-ecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetra-zole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetra-zole and imidazole rings is 67.42 (8)°. The terminal methyl group of the butyl substituent is disordered over two sets of sites, with refined occupancies 0.67 (3) and 0.33 (3). In the crystal, there is a short Br⋯N contact of 3.183 ...[more]

PMID: 24046663

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