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3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea

The title compound, C(10)H(8)N(4)O(2)S, was synthesized from furoyl isothio­cynate and 2-amino­pyrimidine in dry acetone. The two N—H groups are in an anti conformation with respect to each other and one N—H group is anti to the C=S group while the other is syn. The amide C=S and the C=O groups are...

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Autores principales: Singh, Durga P., Pratap, Seema, Gupta, Sushil K., Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588843/
https://www.ncbi.nlm.nih.gov/pubmed/23468808
http://dx.doi.org/10.1107/S1600536812044029
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author Singh, Durga P.
Pratap, Seema
Gupta, Sushil K.
Butcher, Ray J.
author_facet Singh, Durga P.
Pratap, Seema
Gupta, Sushil K.
Butcher, Ray J.
author_sort Singh, Durga P.
collection PubMed
description The title compound, C(10)H(8)N(4)O(2)S, was synthesized from furoyl isothio­cynate and 2-amino­pyrimidine in dry acetone. The two N—H groups are in an anti conformation with respect to each other and one N—H group is anti to the C=S group while the other is syn. The amide C=S and the C=O groups are syn to each other. The mean plane of the central thio­urea fragment forms dihedral angles of 13.50 (14) and 5.03 (11)° with the furan and pyrimidine rings, respectively. The dihedral angle between the furan and pyrimidine rings is 18.43 (10)°. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯N hydrogen bond generating an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of N—H⋯N and weak C—H⋯S hydrogen bonds to form inversion dimers.
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spelling pubmed-35888432013-03-06 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea Singh, Durga P. Pratap, Seema Gupta, Sushil K. Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(10)H(8)N(4)O(2)S, was synthesized from furoyl isothio­cynate and 2-amino­pyrimidine in dry acetone. The two N—H groups are in an anti conformation with respect to each other and one N—H group is anti to the C=S group while the other is syn. The amide C=S and the C=O groups are syn to each other. The mean plane of the central thio­urea fragment forms dihedral angles of 13.50 (14) and 5.03 (11)° with the furan and pyrimidine rings, respectively. The dihedral angle between the furan and pyrimidine rings is 18.43 (10)°. The mol­ecular conformation is stabilized by an intra­molecular N—H⋯N hydrogen bond generating an S(6) ring motif. In the crystal, mol­ecules are linked by pairs of N—H⋯N and weak C—H⋯S hydrogen bonds to form inversion dimers. International Union of Crystallography 2012-11-07 /pmc/articles/PMC3588843/ /pubmed/23468808 http://dx.doi.org/10.1107/S1600536812044029 Text en © Singh et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Singh, Durga P.
Pratap, Seema
Gupta, Sushil K.
Butcher, Ray J.
3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title_full 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title_fullStr 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title_full_unstemmed 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title_short 3-[(Furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
title_sort 3-[(furan-2-yl)carbon­yl]-1-(pyrimi­din-2-yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588843/
https://www.ncbi.nlm.nih.gov/pubmed/23468808
http://dx.doi.org/10.1107/S1600536812044029
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