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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...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2010
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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%. |
format | Text |
id | pubmed-2983284 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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