Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate

The title compound, C(6)H(11)NO(3)S, provides entries to novel carbamoyl disulfanes and related compounds of inter­est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orienta...

Descripción completa

Detalles Bibliográficos
Autores principales: Henley, Matthew J., Schrader, Alex M., Young, Victor G., Barany, George
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647380/
https://www.ncbi.nlm.nih.gov/pubmed/26594477
http://dx.doi.org/10.1107/S2056989015016989
_version_ 1782401085986570240
author Henley, Matthew J.
Schrader, Alex M.
Young, Victor G.
Barany, George
author_facet Henley, Matthew J.
Schrader, Alex M.
Young, Victor G.
Barany, George
author_sort Henley, Matthew J.
collection PubMed
description The title compound, C(6)H(11)NO(3)S, provides entries to novel carbamoyl disulfanes and related compounds of inter­est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thio­carbonyl moieties are anti to each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H⋯S=C hydrogen bonds between adjacent mol­ecules form centrosymmetric dimers in the crystal.
format Online
Article
Text
id pubmed-4647380
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-46473802015-11-20 Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate Henley, Matthew J. Schrader, Alex M. Young, Victor G. Barany, George Acta Crystallogr E Crystallogr Commun Data Reports The title compound, C(6)H(11)NO(3)S, provides entries to novel carbamoyl disulfanes and related compounds of inter­est to our laboratory. The atoms of the central O(C=S)N(C=O)O fragment have an r.m.s. deviation of 0.1077 Å from the respective least-squares plane. While several conformational orientations are conceivable, the crystal structure shows only the one in which the carbonyl and the thio­carbonyl moieties are anti to each other across the central conjugated C—N—C moiety. Pairs of 2.54 Å N—H⋯S=C hydrogen bonds between adjacent mol­ecules form centrosymmetric dimers in the crystal. International Union of Crystallography 2015-09-26 /pmc/articles/PMC4647380/ /pubmed/26594477 http://dx.doi.org/10.1107/S2056989015016989 Text en © Henley et al. 2015 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 Data Reports
Henley, Matthew J.
Schrader, Alex M.
Young, Victor G.
Barany, George
Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title_full Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title_fullStr Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title_full_unstemmed Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title_short Crystal structure of O-ethyl N-(eth­oxy­carbon­yl)thio­carbamate
title_sort crystal structure of o-ethyl n-(eth­oxy­carbon­yl)thio­carbamate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4647380/
https://www.ncbi.nlm.nih.gov/pubmed/26594477
http://dx.doi.org/10.1107/S2056989015016989
work_keys_str_mv AT henleymatthewj crystalstructureofoethylnethoxycarbonylthiocarbamate
AT schraderalexm crystalstructureofoethylnethoxycarbonylthiocarbamate
AT youngvictorg crystalstructureofoethylnethoxycarbonylthiocarbamate
AT baranygeorge crystalstructureofoethylnethoxycarbonylthiocarbamate

Ejemplares similares