Cargando…
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...
Autores principales: | , , , , |
---|---|
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 |
_version_ | 1782261571035070464 |
---|---|
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. |
format | Online Article Text |
id | pubmed-3588461 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT pratapseema 12furoyl32methoxy4nitrophenylthiourea AT singhdurgap 12furoyl32methoxy4nitrophenylthiourea AT guptasushilk 12furoyl32methoxy4nitrophenylthiourea AT yildirimsemaozturk 12furoyl32methoxy4nitrophenylthiourea AT butcherrayj 12furoyl32methoxy4nitrophenylthiourea |