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

In the title mol­ecule, C(21)H(20)BrClN(6)O(2), 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...

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Detalles Bibliográficos
Autores principales: Hall, Gabriel B., Medda, Federico, Roberts, Sue A., Hulme, Christopher
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770378/
https://www.ncbi.nlm.nih.gov/pubmed/24046663
http://dx.doi.org/10.1107/S1600536813016000
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author Hall, Gabriel B.
Medda, Federico
Roberts, Sue A.
Hulme, Christopher
author_facet Hall, Gabriel B.
Medda, Federico
Roberts, Sue A.
Hulme, Christopher
author_sort Hall, Gabriel B.
collection PubMed
description In the title mol­ecule, C(21)H(20)BrClN(6)O(2), 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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spelling pubmed-37703782013-09-17 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione Hall, Gabriel B. Medda, Federico Roberts, Sue A. Hulme, Christopher Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title mol­ecule, C(21)H(20)BrClN(6)O(2), 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. International Union of Crystallography 2013-06-15 /pmc/articles/PMC3770378/ /pubmed/24046663 http://dx.doi.org/10.1107/S1600536813016000 Text en © Hall et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Hall, Gabriel B.
Medda, Federico
Roberts, Sue A.
Hulme, Christopher
3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title_full 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title_fullStr 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title_full_unstemmed 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title_short 3-(4-Bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1H-tetra­zol-5-yl]imidazolidine-2,4-dione
title_sort 3-(4-bromo­phen­yl)-1-butyl-5-[1-(2-chloro-6-methyl­phen­yl)-1h-tetra­zol-5-yl]imidazolidine-2,4-dione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770378/
https://www.ncbi.nlm.nih.gov/pubmed/24046663
http://dx.doi.org/10.1107/S1600536813016000
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