1-Benzoyl-3-methyl-3-pentyl­thio­urea

Two independent mol­ecules comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. These differ in the relative orientations of the pentyl chains [C—C—C—C torsion angles = −176.7 (3) and 176.4 (3)°]. Significant twists are evident in each mol­ecule, the dihedral angles formed between t...

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Detalles Bibliográficos
Autores principales: Gunasekaran, N., Jerome, P., Karvembu, R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089364/
https://www.ncbi.nlm.nih.gov/pubmed/21754457
http://dx.doi.org/10.1107/S1600536811013365
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author Gunasekaran, N.
Jerome, P.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Gunasekaran, N.
Jerome, P.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Gunasekaran, N.
collection PubMed
description Two independent mol­ecules comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. These differ in the relative orientations of the pentyl chains [C—C—C—C torsion angles = −176.7 (3) and 176.4 (3)°]. Significant twists are evident in each mol­ecule, the dihedral angles formed between the thio­urea and amide residues being 53.47 (17) and 55.81 (17)°. In the crystal, each mol­ecule self-associates via a centrosymmetric eight-membered {⋯HNC=S}(2) synthon, and these are connected into a supra­molecular chain along [110] via C—H⋯O contacts. Disorder is noted for one of the independent mol­ecules in that two orientations (50:50) were resolved for its benzene ring.
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spelling pubmed-30893642011-07-13 1-Benzoyl-3-methyl-3-pentyl­thio­urea Gunasekaran, N. Jerome, P. Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent mol­ecules comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. These differ in the relative orientations of the pentyl chains [C—C—C—C torsion angles = −176.7 (3) and 176.4 (3)°]. Significant twists are evident in each mol­ecule, the dihedral angles formed between the thio­urea and amide residues being 53.47 (17) and 55.81 (17)°. In the crystal, each mol­ecule self-associates via a centrosymmetric eight-membered {⋯HNC=S}(2) synthon, and these are connected into a supra­molecular chain along [110] via C—H⋯O contacts. Disorder is noted for one of the independent mol­ecules in that two orientations (50:50) were resolved for its benzene ring. International Union of Crystallography 2011-04-16 /pmc/articles/PMC3089364/ /pubmed/21754457 http://dx.doi.org/10.1107/S1600536811013365 Text en © Gunasekaran 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
Gunasekaran, N.
Jerome, P.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
1-Benzoyl-3-methyl-3-pentyl­thio­urea
title 1-Benzoyl-3-methyl-3-pentyl­thio­urea
title_full 1-Benzoyl-3-methyl-3-pentyl­thio­urea
title_fullStr 1-Benzoyl-3-methyl-3-pentyl­thio­urea
title_full_unstemmed 1-Benzoyl-3-methyl-3-pentyl­thio­urea
title_short 1-Benzoyl-3-methyl-3-pentyl­thio­urea
title_sort 1-benzoyl-3-methyl-3-pentyl­thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089364/
https://www.ncbi.nlm.nih.gov/pubmed/21754457
http://dx.doi.org/10.1107/S1600536811013365
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AT jeromep 1benzoyl3methyl3pentylthiourea
AT karvembur 1benzoyl3methyl3pentylthiourea
AT ngseikweng 1benzoyl3methyl3pentylthiourea
AT tiekinkedwardrt 1benzoyl3methyl3pentylthiourea

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