1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea

Two independent thio­urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol­ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and −19.9 (2)° for the two independent mol­ecules]. Th...

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Detalles Bibliográficos
Autores principales: Gunasekaran, N., Karvembu, R., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007396/
https://www.ncbi.nlm.nih.gov/pubmed/21588403
http://dx.doi.org/10.1107/S1600536810028862
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author Gunasekaran, N.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet Gunasekaran, N.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort Gunasekaran, N.
collection PubMed
description Two independent thio­urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol­ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and −19.9 (2)° for the two independent mol­ecules]. The thio­carbonyl and carbonyl groups lie to opposite sides of the mol­ecule as there are twists about the central N—S bond [torsion angles = 83.90 (15) and 81.77 (15)°]. Supra­molecular chains extending parallel to [101] with a stepped topology and mediated by N—H⋯O hydrogen bonding feature in the crystal structure. C—H⋯O and C—H⋯π inter­actions are also present.
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spelling pubmed-30073962010-12-30 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea Gunasekaran, N. Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent thio­urea derivatives comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. The major difference between the mol­ecules relates to a twist in the relative orientation of the benzene rings [torsion angles = 4.5 (2) and −19.9 (2)° for the two independent mol­ecules]. The thio­carbonyl and carbonyl groups lie to opposite sides of the mol­ecule as there are twists about the central N—S bond [torsion angles = 83.90 (15) and 81.77 (15)°]. Supra­molecular chains extending parallel to [101] with a stepped topology and mediated by N—H⋯O hydrogen bonding feature in the crystal structure. C—H⋯O and C—H⋯π inter­actions are also present. International Union of Crystallography 2010-07-24 /pmc/articles/PMC3007396/ /pubmed/21588403 http://dx.doi.org/10.1107/S1600536810028862 Text en © Gunasekaran et al. 2010 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.
Karvembu, R.
Ng, Seik Weng
Tiekink, Edward R. T.
1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title_full 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title_fullStr 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title_full_unstemmed 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title_short 1-Benzoyl-3,3-bis­(propan-2-yl)thio­urea
title_sort 1-benzoyl-3,3-bis­(propan-2-yl)thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007396/
https://www.ncbi.nlm.nih.gov/pubmed/21588403
http://dx.doi.org/10.1107/S1600536810028862
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AT karvembur 1benzoyl33bispropan2ylthiourea
AT ngseikweng 1benzoyl33bispropan2ylthiourea
AT tiekinkedwardrt 1benzoyl33bispropan2ylthiourea

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