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2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)

In the title 1:1 adduct, C(6)H(5)NO(3)·C(6)H(5)NO(2), both mol­ecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitro­phenol and 2-carboxyl­atopyridinium, respectively). The pyridine mol­ecule crystallizes as a zwitterion (nominal proton transfer from the car...

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Autores principales: Sankar, A., Ambalatharasu, S., Peramaiyan, G., Chakkaravarthi, G., Kanagadurai, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998544/
https://www.ncbi.nlm.nih.gov/pubmed/24826152
http://dx.doi.org/10.1107/S1600536814005650
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author Sankar, A.
Ambalatharasu, S.
Peramaiyan, G.
Chakkaravarthi, G.
Kanagadurai, R.
author_facet Sankar, A.
Ambalatharasu, S.
Peramaiyan, G.
Chakkaravarthi, G.
Kanagadurai, R.
author_sort Sankar, A.
collection PubMed
description In the title 1:1 adduct, C(6)H(5)NO(3)·C(6)H(5)NO(2), both mol­ecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitro­phenol and 2-carboxyl­atopyridinium, respectively). The pyridine mol­ecule crystallizes as a zwitterion (nominal proton transfer from the carb­oxy­lic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(10) loops; two 4-nitro­phenol mol­ecules link to the dimer by O—H⋯O hydrogen bonds, generating a four-molecule aggregate. These are linked by C—H⋯O inter­actions, forming a three-dimensional network.
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spelling pubmed-39985442014-05-13 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1) Sankar, A. Ambalatharasu, S. Peramaiyan, G. Chakkaravarthi, G. Kanagadurai, R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title 1:1 adduct, C(6)H(5)NO(3)·C(6)H(5)NO(2), both mol­ecules are almost planar (r.m.s. deviations for the non-H atoms = 0.027 and 0.023 Å for 4-nitro­phenol and 2-carboxyl­atopyridinium, respectively). The pyridine mol­ecule crystallizes as a zwitterion (nominal proton transfer from the carb­oxy­lic acid group to the N atom in the ring). In the crystal, inversion dimers of the zwitterions linked by pairs of N—H⋯O hydrogen bonds generate R (2) (2)(10) loops; two 4-nitro­phenol mol­ecules link to the dimer by O—H⋯O hydrogen bonds, generating a four-molecule aggregate. These are linked by C—H⋯O inter­actions, forming a three-dimensional network. International Union of Crystallography 2014-03-15 /pmc/articles/PMC3998544/ /pubmed/24826152 http://dx.doi.org/10.1107/S1600536814005650 Text en © Sankar et al. 2014 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
Sankar, A.
Ambalatharasu, S.
Peramaiyan, G.
Chakkaravarthi, G.
Kanagadurai, R.
2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title_full 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title_fullStr 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title_full_unstemmed 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title_short 2-Carboxyl­atopyridinium–4-nitro­phenol (1/1)
title_sort 2-carboxyl­atopyridinium–4-nitro­phenol (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998544/
https://www.ncbi.nlm.nih.gov/pubmed/24826152
http://dx.doi.org/10.1107/S1600536814005650
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AT peramaiyang 2carboxylatopyridinium4nitrophenol11
AT chakkaravarthig 2carboxylatopyridinium4nitrophenol11
AT kanagadurair 2carboxylatopyridinium4nitrophenol11