Methyl 3,5-dibromo-4-methyl­benzoate

In the title compound, C(9)H(8)Br(2)O(2), the mol­ecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxyl­ate substituent. In the crystal structure, weak C—H⋯Br hydro...

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Detalles Bibliográficos
Autores principales: Saeed, Aamer, Rafique, Hummera, Simpson, Jim, Ashraf, Zaman
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983755/
https://www.ncbi.nlm.nih.gov/pubmed/21580779
http://dx.doi.org/10.1107/S1600536810011062
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author Saeed, Aamer
Rafique, Hummera
Simpson, Jim
Ashraf, Zaman
author_facet Saeed, Aamer
Rafique, Hummera
Simpson, Jim
Ashraf, Zaman
author_sort Saeed, Aamer
collection PubMed
description In the title compound, C(9)H(8)Br(2)O(2), the mol­ecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxyl­ate substituent. In the crystal structure, weak C—H⋯Br hydrogen bonds and weak inter­molecular O⋯Br contacts [3.095 (2) Å], link adjacent mol­ecules into layers parallel to (102). Additional weak inter­molecular C—H⋯O hydrogen bond inter­actions stack the layers above and below the mol­ecular plane and down the a axis.
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spelling pubmed-29837552010-12-30 Methyl 3,5-dibromo-4-methyl­benzoate Saeed, Aamer Rafique, Hummera Simpson, Jim Ashraf, Zaman Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(9)H(8)Br(2)O(2), the mol­ecule is essentially planar with an r.m.s. deviation of 0.0652 Å from the mean plane through all non-H atoms and a dihedral angle of 7.1 (2)° between the benzene ring plane and the carboxyl­ate substituent. In the crystal structure, weak C—H⋯Br hydrogen bonds and weak inter­molecular O⋯Br contacts [3.095 (2) Å], link adjacent mol­ecules into layers parallel to (102). Additional weak inter­molecular C—H⋯O hydrogen bond inter­actions stack the layers above and below the mol­ecular plane and down the a axis. International Union of Crystallography 2010-03-31 /pmc/articles/PMC2983755/ /pubmed/21580779 http://dx.doi.org/10.1107/S1600536810011062 Text en © Saeed et al. 2010 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
Saeed, Aamer
Rafique, Hummera
Simpson, Jim
Ashraf, Zaman
Methyl 3,5-dibromo-4-methyl­benzoate
title Methyl 3,5-dibromo-4-methyl­benzoate
title_full Methyl 3,5-dibromo-4-methyl­benzoate
title_fullStr Methyl 3,5-dibromo-4-methyl­benzoate
title_full_unstemmed Methyl 3,5-dibromo-4-methyl­benzoate
title_short Methyl 3,5-dibromo-4-methyl­benzoate
title_sort methyl 3,5-dibromo-4-methyl­benzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983755/
https://www.ncbi.nlm.nih.gov/pubmed/21580779
http://dx.doi.org/10.1107/S1600536810011062
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AT rafiquehummera methyl35dibromo4methylbenzoate
AT simpsonjim methyl35dibromo4methylbenzoate
AT ashrafzaman methyl35dibromo4methylbenzoate

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