Methyl 3-(3-benzoyl­thio­ureido)propano­ate

In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thio­urea mean plane, forming a dihedral angle of 24.16 (9)°...

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Detalles Bibliográficos
Autores principales: Hassan, Ibrahim N., Yi, Chong Yan, Kassim, Mohammad B.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100062/
https://www.ncbi.nlm.nih.gov/pubmed/21754071
http://dx.doi.org/10.1107/S160053681100568X
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author Hassan, Ibrahim N.
Yi, Chong Yan
Kassim, Mohammad B.
author_facet Hassan, Ibrahim N.
Yi, Chong Yan
Kassim, Mohammad B.
author_sort Hassan, Ibrahim N.
collection PubMed
description In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thio­urea mean plane, forming a dihedral angle of 24.16 (9)°. An intra­molecular N—H⋯O hydrogen bond occurs. The crystal packing is stabilized by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, forming a chain along the a axis.
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spelling pubmed-31000622011-07-13 Methyl 3-(3-benzoyl­thio­ureido)propano­ate Hassan, Ibrahim N. Yi, Chong Yan Kassim, Mohammad B. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis–trans conformation, respectively, with respect to the thiono S atom across the C—N bonds. The phenyl ring is twisted relative to the the thio­urea mean plane, forming a dihedral angle of 24.16 (9)°. An intra­molecular N—H⋯O hydrogen bond occurs. The crystal packing is stabilized by inter­molecular N—H⋯O and C—H⋯O hydrogen bonds, forming a chain along the a axis. International Union of Crystallography 2011-03-05 /pmc/articles/PMC3100062/ /pubmed/21754071 http://dx.doi.org/10.1107/S160053681100568X Text en © Hassan 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
Hassan, Ibrahim N.
Yi, Chong Yan
Kassim, Mohammad B.
Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title_full Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title_fullStr Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title_full_unstemmed Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title_short Methyl 3-(3-benzoyl­thio­ureido)propano­ate
title_sort methyl 3-(3-benzoyl­thio­ureido)propano­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3100062/
https://www.ncbi.nlm.nih.gov/pubmed/21754071
http://dx.doi.org/10.1107/S160053681100568X
work_keys_str_mv AT hassanibrahimn methyl33benzoylthioureidopropanoate
AT yichongyan methyl33benzoylthioureidopropanoate
AT kassimmohammadb methyl33benzoylthioureidopropanoate

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