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4-Nitro­benzoic acid–sulfa­thia­zole (1/1)

In the crystal structure of the title compound, C(7)H(5)NO(4)·C(9)H(9)N(3)O(2)S(2), the sulfa­thia­zole and 4-nitro­benzoic acid mol­ecules are held together by short π–π contacts between the thia­zole and nitro­benzene rings, with a centroid–centroid distance of 3.8226 (7) Å. The sulfa­thia­zole mo...

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Detalles Bibliográficos
Autores principales: Oruganti, Madhavi, Trivedi, Darshak R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914109/
https://www.ncbi.nlm.nih.gov/pubmed/24527015
http://dx.doi.org/10.1107/S1600536813034004
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author Oruganti, Madhavi
Trivedi, Darshak R.
author_facet Oruganti, Madhavi
Trivedi, Darshak R.
author_sort Oruganti, Madhavi
collection PubMed
description In the crystal structure of the title compound, C(7)H(5)NO(4)·C(9)H(9)N(3)O(2)S(2), the sulfa­thia­zole and 4-nitro­benzoic acid mol­ecules are held together by short π–π contacts between the thia­zole and nitro­benzene rings, with a centroid–centroid distance of 3.8226 (7) Å. The sulfa­thia­zole mol­ecules form dimers via N—H⋯N hydrogen bonds involving the thia­zole and sulfonamide moieties, owing to the fact that sulfathizole exhibits amide–imide tautomerism. The N—H (amine) groups of two sulfathiazole molecules are linked to the two S=O groups of a sulfathiazole via N—H⋯O hydrogen bonds. Two mol­ecules of coformer are held together by O—H⋯O hydrogen bonds. These units self-assemble, forming a three-dimensional network stabilized by (acid)C—H⋯π(sulfa­thia­zole benzene ring) inter­actions.
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spelling pubmed-39141092014-02-13 4-Nitro­benzoic acid–sulfa­thia­zole (1/1) Oruganti, Madhavi Trivedi, Darshak R. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title compound, C(7)H(5)NO(4)·C(9)H(9)N(3)O(2)S(2), the sulfa­thia­zole and 4-nitro­benzoic acid mol­ecules are held together by short π–π contacts between the thia­zole and nitro­benzene rings, with a centroid–centroid distance of 3.8226 (7) Å. The sulfa­thia­zole mol­ecules form dimers via N—H⋯N hydrogen bonds involving the thia­zole and sulfonamide moieties, owing to the fact that sulfathizole exhibits amide–imide tautomerism. The N—H (amine) groups of two sulfathiazole molecules are linked to the two S=O groups of a sulfathiazole via N—H⋯O hydrogen bonds. Two mol­ecules of coformer are held together by O—H⋯O hydrogen bonds. These units self-assemble, forming a three-dimensional network stabilized by (acid)C—H⋯π(sulfa­thia­zole benzene ring) inter­actions. International Union of Crystallography 2013-12-21 /pmc/articles/PMC3914109/ /pubmed/24527015 http://dx.doi.org/10.1107/S1600536813034004 Text en © Oruganti and Trivedi 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
Oruganti, Madhavi
Trivedi, Darshak R.
4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title 4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title_full 4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title_fullStr 4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title_full_unstemmed 4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title_short 4-Nitro­benzoic acid–sulfa­thia­zole (1/1)
title_sort 4-nitro­benzoic acid–sulfa­thia­zole (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3914109/
https://www.ncbi.nlm.nih.gov/pubmed/24527015
http://dx.doi.org/10.1107/S1600536813034004
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