2-Methyl-3,5-dinitro­benzoic acid

In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C—OH groups are disordered over two sets of sites with an occupancy ratio of 0.595 (16):0.405 (16). In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds arise for...

Descripción completa

Detalles Bibliográficos
Autores principales: Tahir, M. Nawaz, Raza, Abdul Rauf, Saddiqa, Aisha, Danish, Muhammad, Saleem, Iram
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971392/
https://www.ncbi.nlm.nih.gov/pubmed/21578410
http://dx.doi.org/10.1107/S1600536809042627
_version_ 1782190616775491584
author Tahir, M. Nawaz
Raza, Abdul Rauf
Saddiqa, Aisha
Danish, Muhammad
Saleem, Iram
author_facet Tahir, M. Nawaz
Raza, Abdul Rauf
Saddiqa, Aisha
Danish, Muhammad
Saleem, Iram
author_sort Tahir, M. Nawaz
collection PubMed
description In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C—OH groups are disordered over two sets of sites with an occupancy ratio of 0.595 (16):0.405 (16). In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds arise for both carboxyl disorder components and C—H⋯O bonds and weak C—H⋯π inter­actions consolidate the packing.
format Text
id pubmed-2971392
institution National Center for Biotechnology Information
language English
publishDate 2009
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-29713922010-12-30 2-Methyl-3,5-dinitro­benzoic acid Tahir, M. Nawaz Raza, Abdul Rauf Saddiqa, Aisha Danish, Muhammad Saleem, Iram Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(6)N(2)O(6), the O atoms of the nitro groups, the methyl H atoms and the carboxyl C=O and C—OH groups are disordered over two sets of sites with an occupancy ratio of 0.595 (16):0.405 (16). In the crystal, inversion dimers linked by pairs of O—H⋯O hydrogen bonds arise for both carboxyl disorder components and C—H⋯O bonds and weak C—H⋯π inter­actions consolidate the packing. International Union of Crystallography 2009-10-23 /pmc/articles/PMC2971392/ /pubmed/21578410 http://dx.doi.org/10.1107/S1600536809042627 Text en © Tahir et al. 2009 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
Tahir, M. Nawaz
Raza, Abdul Rauf
Saddiqa, Aisha
Danish, Muhammad
Saleem, Iram
2-Methyl-3,5-dinitro­benzoic acid
title 2-Methyl-3,5-dinitro­benzoic acid
title_full 2-Methyl-3,5-dinitro­benzoic acid
title_fullStr 2-Methyl-3,5-dinitro­benzoic acid
title_full_unstemmed 2-Methyl-3,5-dinitro­benzoic acid
title_short 2-Methyl-3,5-dinitro­benzoic acid
title_sort 2-methyl-3,5-dinitro­benzoic acid
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971392/
https://www.ncbi.nlm.nih.gov/pubmed/21578410
http://dx.doi.org/10.1107/S1600536809042627
work_keys_str_mv AT tahirmnawaz 2methyl35dinitrobenzoicacid
AT razaabdulrauf 2methyl35dinitrobenzoicacid
AT saddiqaaisha 2methyl35dinitrobenzoicacid
AT danishmuhammad 2methyl35dinitrobenzoicacid
AT saleemiram 2methyl35dinitrobenzoicacid

Ejemplares similares