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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| Format: | Article |
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International Union of Crystallography
2010
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| 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. |
| collection | UM |
| 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%. |
| first_indexed | 2024-03-06T05:30:40Z |
| format | Article |
| id | um.eprints-12216 |
| institution | Universiti Malaya |
| last_indexed | 2024-03-06T05:30:40Z |
| publishDate | 2010 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | 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, |
| spellingShingle | Q Science (General) Gunasekaran, N. Karvembu, R. Ng, S.W. Tiekink, E.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 | Q Science (General) |
| work_keys_str_mv | AT gunasekarann 3benzoyl11dibenzylthiourea AT karvembur 3benzoyl11dibenzylthiourea AT ngsw 3benzoyl11dibenzylthiourea AT tiekinkert 3benzoyl11dibenzylthiourea |