Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate

The title compound, C(6)H(11)N(3)O(2)S, consists of a roughly planar mol­ecule (r.m.s deviation from planarity = 0.077 Å for the non-H atoms) and has the S atom in an anti position to the imine N atom. This N atom is the acceptor of a strongly bent inter­nal N—H⋯N hydrogen bond donated by the amino...

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Autores principales: Corrêa, Charlane C., Graúdo, José Eugênio J.C., de Oliveira, Luiz Fernando C., de Almeida, Mauro V., Diniz, Renata
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212349/
https://www.ncbi.nlm.nih.gov/pubmed/22091006
http://dx.doi.org/10.1107/S1600536811026237
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author Corrêa, Charlane C.
Graúdo, José Eugênio J.C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
author_facet Corrêa, Charlane C.
Graúdo, José Eugênio J.C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
author_sort Corrêa, Charlane C.
collection PubMed
description The title compound, C(6)H(11)N(3)O(2)S, consists of a roughly planar mol­ecule (r.m.s deviation from planarity = 0.077 Å for the non-H atoms) and has the S atom in an anti position to the imine N atom. This N atom is the acceptor of a strongly bent inter­nal N—H⋯N hydrogen bond donated by the amino group. In the crystal, mol­ecules are arranged in undulating layers parallel to (010). The mol­ecules are linked via inter­molecular amino–carboxyl N—H⋯O hydrogen bonds, forming chains parallel to [001]. The chains are cross-linked by N(carbazone)—H⋯S and C—H⋯S inter­actions, forming infinite sheets.
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spelling pubmed-32123492011-11-16 Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate Corrêa, Charlane C. Graúdo, José Eugênio J.C. de Oliveira, Luiz Fernando C. de Almeida, Mauro V. Diniz, Renata Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(6)H(11)N(3)O(2)S, consists of a roughly planar mol­ecule (r.m.s deviation from planarity = 0.077 Å for the non-H atoms) and has the S atom in an anti position to the imine N atom. This N atom is the acceptor of a strongly bent inter­nal N—H⋯N hydrogen bond donated by the amino group. In the crystal, mol­ecules are arranged in undulating layers parallel to (010). The mol­ecules are linked via inter­molecular amino–carboxyl N—H⋯O hydrogen bonds, forming chains parallel to [001]. The chains are cross-linked by N(carbazone)—H⋯S and C—H⋯S inter­actions, forming infinite sheets. International Union of Crystallography 2011-07-09 /pmc/articles/PMC3212349/ /pubmed/22091006 http://dx.doi.org/10.1107/S1600536811026237 Text en © Corrêa et al. 2011 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
Corrêa, Charlane C.
Graúdo, José Eugênio J.C.
de Oliveira, Luiz Fernando C.
de Almeida, Mauro V.
Diniz, Renata
Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title_full Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title_fullStr Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title_full_unstemmed Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title_short Ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
title_sort ethyl 2-[(carbamothioyl­amino)­imino]­propano­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3212349/
https://www.ncbi.nlm.nih.gov/pubmed/22091006
http://dx.doi.org/10.1107/S1600536811026237
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