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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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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). |
format | Online Article Text |
id | pubmed-8100259 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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