Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate

In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia­zole, pyridine and phenyl rings. The crystal structure features N—H⋯S and C—H⋯O hydrogen bonds and weak π–π...

Descripción completa

Detalles Bibliográficos
Autores principales: He, Hai-Feng, He, Hong-Wu, Liang, Ying, Yang, Zi-Wen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394060/
https://www.ncbi.nlm.nih.gov/pubmed/22798925
http://dx.doi.org/10.1107/S1600536812026311
_version_ 1782237814115532800
author He, Hai-Feng
He, Hong-Wu
Liang, Ying
Yang, Zi-Wen
author_facet He, Hai-Feng
He, Hong-Wu
Liang, Ying
Yang, Zi-Wen
author_sort He, Hai-Feng
collection PubMed
description In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia­zole, pyridine and phenyl rings. The crystal structure features N—H⋯S and C—H⋯O hydrogen bonds and weak π–π stacking inter­actions [centroid–centroid separation = 3.7702 (17) Å]. The terminal methyl group of the eth­oxy­carbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio.
format Online
Article
Text
id pubmed-3394060
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33940602012-07-13 Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate He, Hai-Feng He, Hong-Wu Liang, Ying Yang, Zi-Wen Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(26)H(23)ClFN(5)O(2)S(2), the mean plane of the guanidine fragment makes dihedral angles of 58.94 (13), 78.37 (17) and 50.76 (15)°, respectively, with the attached thia­zole, pyridine and phenyl rings. The crystal structure features N—H⋯S and C—H⋯O hydrogen bonds and weak π–π stacking inter­actions [centroid–centroid separation = 3.7702 (17) Å]. The terminal methyl group of the eth­oxy­carbonyl group is disordered over two orientations in a 0.836 (10):0.164 (10) ratio. International Union of Crystallography 2012-06-30 /pmc/articles/PMC3394060/ /pubmed/22798925 http://dx.doi.org/10.1107/S1600536812026311 Text en © He 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
He, Hai-Feng
He, Hong-Wu
Liang, Ying
Yang, Zi-Wen
Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title_full Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title_fullStr Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title_full_unstemmed Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title_short Ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
title_sort ethyl 4-[({[(6-chloro­pyridin-3-yl)meth­yl](meth­yl)amino}(4-fluoro­anilino)­methyl­idene)amino]-3-phenyl-2-sulfanyl­idene-2,3-dihydro-1,3-thia­zole-5-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394060/
https://www.ncbi.nlm.nih.gov/pubmed/22798925
http://dx.doi.org/10.1107/S1600536812026311
work_keys_str_mv AT hehaifeng ethyl46chloropyridin3ylmethylmethylamino4fluoroanilinomethylideneamino3phenyl2sulfanylidene23dihydro13thiazole5carboxylate
AT hehongwu ethyl46chloropyridin3ylmethylmethylamino4fluoroanilinomethylideneamino3phenyl2sulfanylidene23dihydro13thiazole5carboxylate
AT liangying ethyl46chloropyridin3ylmethylmethylamino4fluoroanilinomethylideneamino3phenyl2sulfanylidene23dihydro13thiazole5carboxylate
AT yangziwen ethyl46chloropyridin3ylmethylmethylamino4fluoroanilinomethylideneamino3phenyl2sulfanylidene23dihydro13thiazole5carboxylate

Ejemplares similares