2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate

The title mol­ecule, C(22)H(17)BrN(2)O(4)S, has a twisted U shape, the dihedral angle between the quinazolin-4-one and bromo­benzene ring systems being 46.25 (8)°. In order to avoid steric clashes with adjacent substituents on the quinazolin-4-one ring, the N-bound tolyl group occupies an orthogonal...

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Autores principales: El-Azab, Adel S., Abdel-Aziz, Alaa A.-M., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295525/
https://www.ncbi.nlm.nih.gov/pubmed/22412636
http://dx.doi.org/10.1107/S1600536812006198
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author El-Azab, Adel S.
Abdel-Aziz, Alaa A.-M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet El-Azab, Adel S.
Abdel-Aziz, Alaa A.-M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort El-Azab, Adel S.
collection PubMed
description The title mol­ecule, C(22)H(17)BrN(2)O(4)S, has a twisted U shape, the dihedral angle between the quinazolin-4-one and bromo­benzene ring systems being 46.25 (8)°. In order to avoid steric clashes with adjacent substituents on the quinazolin-4-one ring, the N-bound tolyl group occupies an orthogonal position [dihedral angle = 89.59 (8)°]. In the crystal, mol­ecules are connected into a three-dimensional architecture by C—H⋯O inter­actions, with the ketone O atom accepting two such bonds and a sulfonate O atom one.
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spelling pubmed-32955252012-03-12 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate El-Azab, Adel S. Abdel-Aziz, Alaa A.-M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(22)H(17)BrN(2)O(4)S, has a twisted U shape, the dihedral angle between the quinazolin-4-one and bromo­benzene ring systems being 46.25 (8)°. In order to avoid steric clashes with adjacent substituents on the quinazolin-4-one ring, the N-bound tolyl group occupies an orthogonal position [dihedral angle = 89.59 (8)°]. In the crystal, mol­ecules are connected into a three-dimensional architecture by C—H⋯O inter­actions, with the ketone O atom accepting two such bonds and a sulfonate O atom one. International Union of Crystallography 2012-02-17 /pmc/articles/PMC3295525/ /pubmed/22412636 http://dx.doi.org/10.1107/S1600536812006198 Text en © El-Azab et al. 2012 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
El-Azab, Adel S.
Abdel-Aziz, Alaa A.-M.
Ng, Seik Weng
Tiekink, Edward R. T.
2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title_full 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title_fullStr 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title_full_unstemmed 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title_short 2-Methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
title_sort 2-methyl-3-(2-methyl­phen­yl)-4-oxo-3,4-dihydro­quinazolin-8-yl 4-bromo­benzene-1-sulfonate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3295525/
https://www.ncbi.nlm.nih.gov/pubmed/22412636
http://dx.doi.org/10.1107/S1600536812006198
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AT ngseikweng 2methyl32methylphenyl4oxo34dihydroquinazolin8yl4bromobenzene1sulfonate
AT tiekinkedwardrt 2methyl32methylphenyl4oxo34dihydroquinazolin8yl4bromobenzene1sulfonate

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