Methyl 3-carboxy-5-nitrobenzoate

The structure of the title compound, C(9)H(7)NO(6), is essentially planar [maximum deviation 0.284 (2)Å] except for the methyl H atoms. The crystal structure is stabilized by asymmetric O—H⋯O hydrogen bonds linking the hydrogen carboxyl­ates into pairs around the inversion centres. There is also π–π...

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Autores principales: Zou, Pei, Xie, Min-Hao, Luo, Shi-Neng, Liu, Ya-Ling, Shen, Yong-Jia
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968314/
https://www.ncbi.nlm.nih.gov/pubmed/21581938
http://dx.doi.org/10.1107/S1600536809001093
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author Zou, Pei
Xie, Min-Hao
Luo, Shi-Neng
Liu, Ya-Ling
Shen, Yong-Jia
author_facet Zou, Pei
Xie, Min-Hao
Luo, Shi-Neng
Liu, Ya-Ling
Shen, Yong-Jia
author_sort Zou, Pei
collection PubMed
description The structure of the title compound, C(9)H(7)NO(6), is essentially planar [maximum deviation 0.284 (2)Å] except for the methyl H atoms. The crystal structure is stabilized by asymmetric O—H⋯O hydrogen bonds linking the hydrogen carboxyl­ates into pairs around the inversion centres. There is also π–π stacking of the benzene rings [centroid–centroid distance 3.6912 (12) Å].
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spelling pubmed-29683142010-12-30 Methyl 3-carboxy-5-nitrobenzoate Zou, Pei Xie, Min-Hao Luo, Shi-Neng Liu, Ya-Ling Shen, Yong-Jia Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(9)H(7)NO(6), is essentially planar [maximum deviation 0.284 (2)Å] except for the methyl H atoms. The crystal structure is stabilized by asymmetric O—H⋯O hydrogen bonds linking the hydrogen carboxyl­ates into pairs around the inversion centres. There is also π–π stacking of the benzene rings [centroid–centroid distance 3.6912 (12) Å]. International Union of Crystallography 2009-01-17 /pmc/articles/PMC2968314/ /pubmed/21581938 http://dx.doi.org/10.1107/S1600536809001093 Text en © Zou 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
Zou, Pei
Xie, Min-Hao
Luo, Shi-Neng
Liu, Ya-Ling
Shen, Yong-Jia
Methyl 3-carboxy-5-nitrobenzoate
title Methyl 3-carboxy-5-nitrobenzoate
title_full Methyl 3-carboxy-5-nitrobenzoate
title_fullStr Methyl 3-carboxy-5-nitrobenzoate
title_full_unstemmed Methyl 3-carboxy-5-nitrobenzoate
title_short Methyl 3-carboxy-5-nitrobenzoate
title_sort methyl 3-carboxy-5-nitrobenzoate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2968314/
https://www.ncbi.nlm.nih.gov/pubmed/21581938
http://dx.doi.org/10.1107/S1600536809001093
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AT xieminhao methyl3carboxy5nitrobenzoate
AT luoshineng methyl3carboxy5nitrobenzoate
AT liuyaling methyl3carboxy5nitrobenzoate
AT shenyongjia methyl3carboxy5nitrobenzoate

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