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Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile

The title compounds 3a, C(14)H(13)N(5)OS, and 3b, C(13)H(12)N(6)OS, both show an E configuration about the N=C bond and a planar NH(2) group. The mol­ecules, which only differ in the presence of a phenyl (in 3a) or pyridyl (in 3b) substituent, are closely similar except for the different orientation...

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Autores principales: Mohamed-Ezzat, Reham A., Elgemeie, Galal H., Jones, Peter G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100259/
https://www.ncbi.nlm.nih.gov/pubmed/34026262
http://dx.doi.org/10.1107/S2056989021004126
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author Mohamed-Ezzat, Reham A.
Elgemeie, Galal H.
Jones, Peter G.
author_facet Mohamed-Ezzat, Reham A.
Elgemeie, Galal H.
Jones, Peter G.
author_sort Mohamed-Ezzat, Reham A.
collection PubMed
description The title compounds 3a, C(14)H(13)N(5)OS, and 3b, C(13)H(12)N(6)OS, both show an E configuration about the N=C bond and a planar NH(2) group. The mol­ecules, which only differ in the presence of a phenyl (in 3a) or pyridyl (in 3b) substituent, are closely similar except for the different orientations of these groups. The amino hydrogen atoms form classical hydrogen bonds; in 3a the acceptors are the oxygen atom and the cyano nitro­gen atom, leading to ribbons of mol­ecules parallel to the b axis, whereas in 3b the acceptors are the oxygen atom and the pyridyl nitro­gen, leading to a layer structure perpendicular to ([Image: see text]01).
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spelling pubmed-81002592021-05-21 Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile Mohamed-Ezzat, Reham A. Elgemeie, Galal H. Jones, Peter G. Acta Crystallogr E Crystallogr Commun Research Communications The title compounds 3a, C(14)H(13)N(5)OS, and 3b, C(13)H(12)N(6)OS, both show an E configuration about the N=C bond and a planar NH(2) group. The mol­ecules, which only differ in the presence of a phenyl (in 3a) or pyridyl (in 3b) substituent, are closely similar except for the different orientations of these groups. The amino hydrogen atoms form classical hydrogen bonds; in 3a the acceptors are the oxygen atom and the cyano nitro­gen atom, leading to ribbons of mol­ecules parallel to the b axis, whereas in 3b the acceptors are the oxygen atom and the pyridyl nitro­gen, leading to a layer structure perpendicular to ([Image: see text]01). International Union of Crystallography 2021-04-23 /pmc/articles/PMC8100259/ /pubmed/34026262 http://dx.doi.org/10.1107/S2056989021004126 Text en © Mohamed-Ezzat 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
Mohamed-Ezzat, Reham A.
Elgemeie, Galal H.
Jones, Peter G.
Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title_full Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title_fullStr Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title_full_unstemmed Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title_short Crystal structures of (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (E)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
title_sort crystal structures of (e)-2-amino-4-methyl­sulfanyl-6-oxo-1-(1-phenyl­ethyl­idene­amino)-1,6-di­hydro­pyrimidine-5-carbo­nitrile and (e)-2-amino-4-methyl­sulfanyl-6-oxo-1-[1-(pyridin-2-yl)ethyl­idene­amino]-1,6-di­hydro­pyrimidine-5-carbo­nitrile
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8100259/
https://www.ncbi.nlm.nih.gov/pubmed/34026262
http://dx.doi.org/10.1107/S2056989021004126
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