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1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea

The asymmetric unit of the title compound, C(13)H(11)N(3)O(5)S, contains two independent mol­ecules, which are linked by a pair of inter­molecular N—H⋯S hydrogen bonds, forming an R (2) (2)(8) ring motif. The central thio­urea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentia...

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Autores principales: Pratap, Seema, Singh, Durga P., Gupta, Sushil K., Yildirim, Sema Öztürk, Butcher, Ray J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588461/
https://www.ncbi.nlm.nih.gov/pubmed/23476526
http://dx.doi.org/10.1107/S1600536813002894
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author Pratap, Seema
Singh, Durga P.
Gupta, Sushil K.
Yildirim, Sema Öztürk
Butcher, Ray J.
author_facet Pratap, Seema
Singh, Durga P.
Gupta, Sushil K.
Yildirim, Sema Öztürk
Butcher, Ray J.
author_sort Pratap, Seema
collection PubMed
description The asymmetric unit of the title compound, C(13)H(11)N(3)O(5)S, contains two independent mol­ecules, which are linked by a pair of inter­molecular N—H⋯S hydrogen bonds, forming an R (2) (2)(8) ring motif. The central thio­urea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentially planar furoyl groups [maximum deviations = 0.030 (2) and 0.057 (2) Å] in the two mol­ecules and dihedral angles of 2.43 (13) and 8.03 (12)° with the benzene rings. The dihedral angles between the furoyl and benzene rings in the two mol­ecules are 3.97 (10) and 5.98 (9)°. The trans–cis geometry of the thio­urea group is stabilized by three intra­molecular N—H⋯O hydrogen bonds involving carbonyl and meth­oxy O atoms with the H atom of the cis-thio­amide group and between furan O atom and the other thio­amide H atom. There is also a weak intra­molecular C—H⋯S inter­action in each mol­ecule.
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spelling pubmed-35884612013-03-08 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea Pratap, Seema Singh, Durga P. Gupta, Sushil K. Yildirim, Sema Öztürk Butcher, Ray J. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(13)H(11)N(3)O(5)S, contains two independent mol­ecules, which are linked by a pair of inter­molecular N—H⋯S hydrogen bonds, forming an R (2) (2)(8) ring motif. The central thio­urea core forms dihedral angles of 3.02 (12) and 14.00 (10)° with the essentially planar furoyl groups [maximum deviations = 0.030 (2) and 0.057 (2) Å] in the two mol­ecules and dihedral angles of 2.43 (13) and 8.03 (12)° with the benzene rings. The dihedral angles between the furoyl and benzene rings in the two mol­ecules are 3.97 (10) and 5.98 (9)°. The trans–cis geometry of the thio­urea group is stabilized by three intra­molecular N—H⋯O hydrogen bonds involving carbonyl and meth­oxy O atoms with the H atom of the cis-thio­amide group and between furan O atom and the other thio­amide H atom. There is also a weak intra­molecular C—H⋯S inter­action in each mol­ecule. International Union of Crystallography 2013-02-02 /pmc/articles/PMC3588461/ /pubmed/23476526 http://dx.doi.org/10.1107/S1600536813002894 Text en © Pratap et al. 2013 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
Pratap, Seema
Singh, Durga P.
Gupta, Sushil K.
Yildirim, Sema Öztürk
Butcher, Ray J.
1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title_full 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title_fullStr 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title_full_unstemmed 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title_short 1-(2-Furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
title_sort 1-(2-furo­yl)-3-(2-meth­oxy-4-nitro­phen­yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588461/
https://www.ncbi.nlm.nih.gov/pubmed/23476526
http://dx.doi.org/10.1107/S1600536813002894
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