3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea
The title thiourea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intramolecular N-H...O hydrogen bond. In the molecular packing, supramolecular aggregation is based on hy...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2016
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| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/663/ http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf |
| _version_ | 1848801872570220544 |
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| author | Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim, Tiekink, Edward R. T. * |
| author_facet | Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim, Tiekink, Edward R. T. * |
| author_sort | Nazzatush Shimar Jamaludin, |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title thiourea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intramolecular N-H...O hydrogen bond. In the molecular packing, supramolecular aggregation is based on hydroxy-O-H...O(carbonyl) hydrogen bonding and leads to supramolecular helical chains along the a axis; chains are reinforced by N-methylene-C-H...S and N-methyl-C-H...[pi](arene) interactions. Supramolecular layers in the ab plane are formed as a result of tolyl-methyl-C-H...[pi](arene) interactions. |
| first_indexed | 2025-11-14T21:14:21Z |
| format | Article |
| id | sunway-663 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:21Z |
| publishDate | 2016 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-6632020-10-07T09:54:50Z http://eprints.sunway.edu.my/663/ 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim, Tiekink, Edward R. T. * QD Chemistry The title thiourea derivative, C12H16N2O2S, has a twisted conformation with the dihedral angle between the NC(=S)N and O=CC6 planes being 35.45 (5)°. The observed conformation allows for an intramolecular N-H...O hydrogen bond. In the molecular packing, supramolecular aggregation is based on hydroxy-O-H...O(carbonyl) hydrogen bonding and leads to supramolecular helical chains along the a axis; chains are reinforced by N-methylene-C-H...S and N-methyl-C-H...[pi](arene) interactions. Supramolecular layers in the ab plane are formed as a result of tolyl-methyl-C-H...[pi](arene) interactions. International Union of Crystallography 2016 Article PeerReviewed text en cc_by_nc_nd http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf Nazzatush Shimar Jamaludin, and Siti Nadiah Abdul Halim, and Tiekink, Edward R. T. * (2016) 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea. IUCrData, 1 (1). x152457. ISSN 2414-3146 http://dx.doi.org/10.1107/S2414314615024578 doi:10.1107/S2414314615024578 |
| spellingShingle | QD Chemistry Nazzatush Shimar Jamaludin, Siti Nadiah Abdul Halim, Tiekink, Edward R. T. * 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title | 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title_full | 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title_fullStr | 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title_full_unstemmed | 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title_short | 3-(2-Hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| title_sort | 3-(2-hydroxyethyl)-3-methyl-1-(4-methylbenzoyl)thiourea |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/663/ http://eprints.sunway.edu.my/663/ http://eprints.sunway.edu.my/663/ http://eprints.sunway.edu.my/663/1/IUCrData%202016%201%20x152457.pdf |