3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea

The title compound, C(15)H(14)N(2)OS(2), adopts a helix conformation. An intra­molecular N—H⋯O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl­sulfan...

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Autores principales: Castro, Rosane de P., Macedo, Fernando C., Brito, Tiago O., de Fátima, Angelo, Sabino, José R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685073/
https://www.ncbi.nlm.nih.gov/pubmed/23795092
http://dx.doi.org/10.1107/S1600536813013159
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author Castro, Rosane de P.
Macedo, Fernando C.
Brito, Tiago O.
de Fátima, Angelo
Sabino, José R.
author_facet Castro, Rosane de P.
Macedo, Fernando C.
Brito, Tiago O.
de Fátima, Angelo
Sabino, José R.
author_sort Castro, Rosane de P.
collection PubMed
description The title compound, C(15)H(14)N(2)OS(2), adopts a helix conformation. An intra­molecular N—H⋯O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl­sulfan­yl)benzene ring [r.m.s = 0.0028 Å and largest deviation of 0.067 (3) Å for the methyl­sulfanyl C atom] make dihedral angles of 31.76 (8) and 54.68 (6)°, respectively, with the pseudo-ring plane. The dihedral angle between the benzene rings is 85.71 (8)°. In the crystal, pairs of weak N—H⋯S inter­actions form inversion dimers and mediate a linear chain along [001].
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spelling pubmed-36850732013-06-21 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea Castro, Rosane de P. Macedo, Fernando C. Brito, Tiago O. de Fátima, Angelo Sabino, José R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(15)H(14)N(2)OS(2), adopts a helix conformation. An intra­molecular N—H⋯O hydrogen bond leads to a six-membered pseudo-ring [r.m.s. deviation = 0.0212 Å, maximum deviation = 0.033 (1) Å for the N atom bearing the benzoyl group] in the central unit. The benzene and (methyl­sulfan­yl)benzene ring [r.m.s = 0.0028 Å and largest deviation of 0.067 (3) Å for the methyl­sulfanyl C atom] make dihedral angles of 31.76 (8) and 54.68 (6)°, respectively, with the pseudo-ring plane. The dihedral angle between the benzene rings is 85.71 (8)°. In the crystal, pairs of weak N—H⋯S inter­actions form inversion dimers and mediate a linear chain along [001]. International Union of Crystallography 2013-05-18 /pmc/articles/PMC3685073/ /pubmed/23795092 http://dx.doi.org/10.1107/S1600536813013159 Text en © Castro et al. 2013 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
Castro, Rosane de P.
Macedo, Fernando C.
Brito, Tiago O.
de Fátima, Angelo
Sabino, José R.
3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title_full 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title_fullStr 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title_full_unstemmed 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title_short 3-Benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
title_sort 3-benzoyl-1-[4-(methyl­sulfan­yl)phen­yl]thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3685073/
https://www.ncbi.nlm.nih.gov/pubmed/23795092
http://dx.doi.org/10.1107/S1600536813013159
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AT defatimaangelo 3benzoyl14methylsulfanylphenylthiourea
AT sabinojoser 3benzoyl14methylsulfanylphenylthiourea

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