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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International Union of Crystallography
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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 |
work_keys_str_mv |
AT nadiahmetwally crystalstructureofethyl23amino5oxo2tosyl25dihydro1hpyrazol1ylacetate AT galalhelgemeie crystalstructureofethyl23amino5oxo2tosyl25dihydro1hpyrazol1ylacetate AT petergjones crystalstructureofethyl23amino5oxo2tosyl25dihydro1hpyrazol1ylacetate |
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1721391234658861056 |