Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate

In the title compound, C(14)H(17)N(3)O(5)S, the five-membered ring is essentially planar. The substituents at the nitro­gen atoms subtend a C—N—N—S torsion angle of −95.52 (6)°. The amino group forms an intra­molecular hydrogen bond to a sulfonyl oxygen atom; two inter­molecular hydrogen bonds from...

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Autores principales: Metwally, Nadia H., Elgemeie, Galal H., Jones, Peter G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183440/
https://www.ncbi.nlm.nih.gov/pubmed/34164138
http://dx.doi.org/10.1107/S2056989021004795
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author Metwally, Nadia H.
Elgemeie, Galal H.
Jones, Peter G.
author_facet Metwally, Nadia H.
Elgemeie, Galal H.
Jones, Peter G.
author_sort Metwally, Nadia H.
collection PubMed
description In the title compound, C(14)H(17)N(3)O(5)S, the five-membered ring is essentially planar. The substituents at the nitro­gen atoms subtend a C—N—N—S torsion angle of −95.52 (6)°. The amino group forms an intra­molecular hydrogen bond to a sulfonyl oxygen atom; two inter­molecular hydrogen bonds from the amino group, to the other S=O group and to the oxo substituent, form a layer structure parallel to the ab plane. The structure determination confirms that the title compound is N- rather than O-alkyl­ated.
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spelling pubmed-81834402021-06-22 Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate Metwally, Nadia H. Elgemeie, Galal H. Jones, Peter G. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(14)H(17)N(3)O(5)S, the five-membered ring is essentially planar. The substituents at the nitro­gen atoms subtend a C—N—N—S torsion angle of −95.52 (6)°. The amino group forms an intra­molecular hydrogen bond to a sulfonyl oxygen atom; two inter­molecular hydrogen bonds from the amino group, to the other S=O group and to the oxo substituent, form a layer structure parallel to the ab plane. The structure determination confirms that the title compound is N- rather than O-alkyl­ated. International Union of Crystallography 2021-05-14 /pmc/articles/PMC8183440/ /pubmed/34164138 http://dx.doi.org/10.1107/S2056989021004795 Text en © Metwally et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Metwally, Nadia H.
Elgemeie, Galal H.
Jones, Peter G.
Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title_full Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title_fullStr Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title_full_unstemmed Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title_short Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1H-pyrazol-1-yl)acetate
title_sort crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-di­hydro-1h-pyrazol-1-yl)acetate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8183440/
https://www.ncbi.nlm.nih.gov/pubmed/34164138
http://dx.doi.org/10.1107/S2056989021004795
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