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3-Benzoyl-1,1-dibenzyl­thio­urea

Two independent thio­urea mol­ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N–C(=S)N(H)C(=O) atoms in each mol­ecule are virtually superimposable and each is twisted [C—N—C—S torsion angles = 121.3 (3) and −62.3 (4)°]. The mol­ecules differ only in terms of...

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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:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983284/
https://www.ncbi.nlm.nih.gov/pubmed/21587556
http://dx.doi.org/10.1107/S1600536810036226
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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 mol­ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N–C(=S)N(H)C(=O) atoms in each mol­ecule are virtually superimposable and each is twisted [C—N—C—S torsion angles = 121.3 (3) and −62.3 (4)°]. The mol­ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C—N—C—C torsion angles of −146.6 (3) and −132.9 (3)°]. The presence of N—H⋯S hydrogen bonding leads to the formation of supra­molecular chains along the a axis. These are consolidated in the crystal packing by C—H⋯O inter­actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law [Image: see text]00/0[Image: see text]0/001), with the fractional contribution of the minor components being approximately 9 and 28%.
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spelling pubmed-29832842010-12-30 3-Benzoyl-1,1-dibenzyl­thio­urea Gunasekaran, N. Karvembu, R. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers Two independent thio­urea mol­ecules comprise the asymmetric unit of the title compound, C(22)H(20)N(2)OS. The central N–C(=S)N(H)C(=O) atoms in each mol­ecule are virtually superimposable and each is twisted [C—N—C—S torsion angles = 121.3 (3) and −62.3 (4)°]. The mol­ecules differ only in terms of the relative orientations of the benzyl benzene rings [major difference between the C—N—C—C torsion angles of −146.6 (3) and −132.9 (3)°]. The presence of N—H⋯S hydrogen bonding leads to the formation of supra­molecular chains along the a axis. These are consolidated in the crystal packing by C—H⋯O inter­actions. The crystal was found to be a combined non-merohedral and racemic twin (twin law [Image: see text]00/0[Image: see text]0/001), with the fractional contribution of the minor components being approximately 9 and 28%. International Union of Crystallography 2010-09-18 /pmc/articles/PMC2983284/ /pubmed/21587556 http://dx.doi.org/10.1107/S1600536810036226 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.
3-Benzoyl-1,1-dibenzyl­thio­urea
title 3-Benzoyl-1,1-dibenzyl­thio­urea
title_full 3-Benzoyl-1,1-dibenzyl­thio­urea
title_fullStr 3-Benzoyl-1,1-dibenzyl­thio­urea
title_full_unstemmed 3-Benzoyl-1,1-dibenzyl­thio­urea
title_short 3-Benzoyl-1,1-dibenzyl­thio­urea
title_sort 3-benzoyl-1,1-dibenzyl­thio­urea
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983284/
https://www.ncbi.nlm.nih.gov/pubmed/21587556
http://dx.doi.org/10.1107/S1600536810036226
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