3-(4-Bromophenyl)-1-butyl-5-[1-(2-chloro-6-methylphenyl)-1H-tetrazol-5-yl] imidazolidine-2,4-dione

Gabriel B. Hall, Federico Medda, Sue A Roberts, Christopher Hulme

Research output: Contribution to journalArticle

Abstract

In the title molecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetrazole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetrazole 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.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number7
DOIs
StatePublished - Jul 2013

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Dione
Dihedral angle
rings
tetrazoles
dihedral angle
imidazoles
Benzene
Crystals
Molecules
benzene
imidazolidine-2,4-dione
1H-tetrazole
imidazole
crystals
molecules

ASJC Scopus subject areas

  • Condensed Matter Physics
  • Materials Science(all)
  • Chemistry(all)

Cite this

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title = "3-(4-Bromophenyl)-1-butyl-5-[1-(2-chloro-6-methylphenyl)-1H-tetrazol-5-yl] imidazolidine-2,4-dione",
abstract = "In the title molecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetrazole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetrazole 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) {\AA}.",
author = "Hall, {Gabriel B.} and Federico Medda and Roberts, {Sue A} and Christopher Hulme",
year = "2013",
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language = "English (US)",
volume = "69",
journal = "Acta Crystallographica Section E: Structure Reports Online",
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publisher = "International Union of Crystallography",
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TY - JOUR

T1 - 3-(4-Bromophenyl)-1-butyl-5-[1-(2-chloro-6-methylphenyl)-1H-tetrazol-5-yl] imidazolidine-2,4-dione

AU - Hall, Gabriel B.

AU - Medda, Federico

AU - Roberts, Sue A

AU - Hulme, Christopher

PY - 2013/7

Y1 - 2013/7

N2 - In the title molecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetrazole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetrazole 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.

AB - In the title molecule, C21H20BrClN6O2, the chloro-substituted benzene ring forms a dihedral angle of 77.84 (7)° with the tetrazole ring and the bromo-substituted ring forms a dihedral angle of 43.95 (6)° with the imidazole ring. The dihedral angle between the tetrazole 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.

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JO - Acta Crystallographica Section E: Structure Reports Online

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