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)degrees]. The molecules differ only in terms...

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Main Authors: Gunasekaran, N., Karvembu, R., Ng, S.W., Tiekink, E.R.T.
Format: Article
Published: International Union of Crystallography 2010
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Online Access:http://eprints.um.edu.my/12216/
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spelling my.um.eprints.122162019-01-31T04:12:23Z http://eprints.um.edu.my/12216/ 3-Benzoyl-1,1-dibenzylthiourea Gunasekaran, N. Karvembu, R. Ng, S.W. Tiekink, E.R.T. Q Science (General) 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)degrees]. 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)degrees]. The presence of N-H center dot center dot center dot S hydrogen bonding leads to the formation of supramolecular chains along the a axis. These are consolidated in the crystal packing by C-H center dot center dot center dot O interactions. The crystal was found to be a combined non-merohedral and racemic twin (twin law (1) over bar 00/0 (1) over bar0/001), with the fractional contribution of the minor components being approximately 9 and 28%. International Union of Crystallography 2010 Article PeerReviewed Gunasekaran, N. and Karvembu, R. and Ng, S.W. and Tiekink, E.R.T. (2010) 3-Benzoyl-1,1-dibenzylthiourea. Acta Crystallographica Section E: Structure Reports Online, 66 (10). O2572-U574. ISSN 1600-5368
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic Q Science (General)
spellingShingle Q Science (General)
Gunasekaran, N.
Karvembu, R.
Ng, S.W.
Tiekink, E.R.T.
3-Benzoyl-1,1-dibenzylthiourea
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)degrees]. 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)degrees]. The presence of N-H center dot center dot center dot S hydrogen bonding leads to the formation of supramolecular chains along the a axis. These are consolidated in the crystal packing by C-H center dot center dot center dot O interactions. The crystal was found to be a combined non-merohedral and racemic twin (twin law (1) over bar 00/0 (1) over bar0/001), with the fractional contribution of the minor components being approximately 9 and 28%.
format Article
author Gunasekaran, N.
Karvembu, R.
Ng, S.W.
Tiekink, E.R.T.
author_facet Gunasekaran, N.
Karvembu, R.
Ng, S.W.
Tiekink, E.R.T.
author_sort Gunasekaran, N.
title 3-Benzoyl-1,1-dibenzylthiourea
title_short 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_sort 3-benzoyl-1,1-dibenzylthiourea
publisher International Union of Crystallography
publishDate 2010
url http://eprints.um.edu.my/12216/
_version_ 1643689249787084800
score 13.211869