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

In the title compound, C14H17N3O5S, 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 g...

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Main Authors: Nadia H. Metwally, Galal H. Elgemeie, Peter G. Jones
Format: Article
Language:English
Published: International Union of Crystallography 2021-06-01
Series:Acta Crystallographica Section E: Crystallographic Communications
Subjects:
Online Access:http://scripts.iucr.org/cgi-bin/paper?S2056989021004795
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spelling doaj-47532e47b90e4954bcb031c5633c66012021-06-07T14:20:00ZengInternational Union of CrystallographyActa Crystallographica Section E: Crystallographic Communications2056-98902021-06-0177661561710.1107/S2056989021004795zl5011Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1H-pyrazol-1-yl)acetateNadia H. Metwally0Galal H. Elgemeie1Peter G. Jones2Chemistry Department, Faculty of Science, Cairo University, Giza, EgyptChemistry Department, Faculty of Science, Helwan University, Cairo, EgyptInstitut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Hagenring 30, D-38106 Braunschweig, GermanyIn the title compound, C14H17N3O5S, 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.http://scripts.iucr.org/cgi-bin/paper?S2056989021004795pyrazoletosylhydrogen bondcrystal structure
collection DOAJ
language English
format Article
sources DOAJ
author Nadia H. Metwally
Galal H. Elgemeie
Peter G. Jones
spellingShingle Nadia H. Metwally
Galal H. Elgemeie
Peter G. Jones
Crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1H-pyrazol-1-yl)acetate
Acta Crystallographica Section E: Crystallographic Communications
pyrazole
tosyl
hydrogen bond
crystal structure
author_facet Nadia H. Metwally
Galal H. Elgemeie
Peter G. Jones
author_sort Nadia H. Metwally
title 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_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_sort crystal structure of ethyl 2-(3-amino-5-oxo-2-tosyl-2,5-dihydro-1h-pyrazol-1-yl)acetate
publisher International Union of Crystallography
series Acta Crystallographica Section E: Crystallographic Communications
issn 2056-9890
publishDate 2021-06-01
description In the title compound, C14H17N3O5S, 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.
topic pyrazole
tosyl
hydrogen bond
crystal structure
url http://scripts.iucr.org/cgi-bin/paper?S2056989021004795
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AT galalhelgemeie crystalstructureofethyl23amino5oxo2tosyl25dihydro1hpyrazol1ylacetate
AT petergjones crystalstructureofethyl23amino5oxo2tosyl25dihydro1hpyrazol1ylacetate
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