Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate

In the title compound, C(17)H(18)N(2)O(2)S(2), the angle between the mean plane defined by the atoms of the 5,6-dihydro-4H-cyclo­penta­[b]thio­phene moiety (r.m.s. deviation = 0.19 Å) and the phenyl ring is 72.8°(2). The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O inter­action,...

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Detalles Bibliográficos
Autores principales: de Oliveira, Jaismary G. B., Mendonça Junior, Francisco J. B., de Lima, Maria do Carmo A., de Simone, Carlos A., Ellena, Javier A.
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/PMC3414293/
https://www.ncbi.nlm.nih.gov/pubmed/22904826
http://dx.doi.org/10.1107/S1600536812029893
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author de Oliveira, Jaismary G. B.
Mendonça Junior, Francisco J. B.
de Lima, Maria do Carmo A.
de Simone, Carlos A.
Ellena, Javier A.
author_facet de Oliveira, Jaismary G. B.
Mendonça Junior, Francisco J. B.
de Lima, Maria do Carmo A.
de Simone, Carlos A.
Ellena, Javier A.
author_sort de Oliveira, Jaismary G. B.
collection PubMed
description In the title compound, C(17)H(18)N(2)O(2)S(2), the angle between the mean plane defined by the atoms of the 5,6-dihydro-4H-cyclo­penta­[b]thio­phene moiety (r.m.s. deviation = 0.19 Å) and the phenyl ring is 72.8°(2). The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O inter­action, which generates an S(6) ring motif. In the crystal, pairs of N—H⋯S hydrogen bonds link the mol­ecules to form inversion dimers with an R (2) (2)(8) ring motif.
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spelling pubmed-34142932012-08-17 Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate de Oliveira, Jaismary G. B. Mendonça Junior, Francisco J. B. de Lima, Maria do Carmo A. de Simone, Carlos A. Ellena, Javier A. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(18)N(2)O(2)S(2), the angle between the mean plane defined by the atoms of the 5,6-dihydro-4H-cyclo­penta­[b]thio­phene moiety (r.m.s. deviation = 0.19 Å) and the phenyl ring is 72.8°(2). The mol­ecular conformation is stabilized by an intra­molecular N—H⋯O inter­action, which generates an S(6) ring motif. In the crystal, pairs of N—H⋯S hydrogen bonds link the mol­ecules to form inversion dimers with an R (2) (2)(8) ring motif. International Union of Crystallography 2012-07-07 /pmc/articles/PMC3414293/ /pubmed/22904826 http://dx.doi.org/10.1107/S1600536812029893 Text en © Oliveira 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
de Oliveira, Jaismary G. B.
Mendonça Junior, Francisco J. B.
de Lima, Maria do Carmo A.
de Simone, Carlos A.
Ellena, Javier A.
Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title_full Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title_fullStr Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title_full_unstemmed Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title_short Ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4H-cyclo­penta­[b]thio­phene-3-carboxyl­ate
title_sort ethyl 2-(3-phenyl­thio­ureido)-5,6-di­hydro-4h-cyclo­penta­[b]thio­phene-3-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3414293/
https://www.ncbi.nlm.nih.gov/pubmed/22904826
http://dx.doi.org/10.1107/S1600536812029893
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