3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis
The title disubstituted thiourea derivative, C10H14N4S, features an almost planar imine (E configuration, C3N) core flanked by thiourea (CN2S) and methylpyridyl (C5N) residues (each plane has a r.m.s. deviation of the respective fitted atoms of 0.0066 A ° ). The dihedral angles between the core and...
| Main Authors: | , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
2018
|
| Subjects: | |
| Online Access: | http://eprints.sunway.edu.my/747/ http://eprints.sunway.edu.my/747/1/Tiekink%203-Methyl-1-%284-methylpyridin-2-yl%29.pdf |
| _version_ | 1848801890174763008 |
|---|---|
| author | Lai, Lee Chin Che Nursarah Che AbdulRahman, M. Ibrahim M.Tahir, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_facet | Lai, Lee Chin Che Nursarah Che AbdulRahman, M. Ibrahim M.Tahir, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * |
| author_sort | Lai, Lee Chin |
| building | SU Institutional Repository |
| collection | Online Access |
| description | The title disubstituted thiourea derivative, C10H14N4S, features an almost planar imine (E configuration, C3N) core flanked by thiourea (CN2S) and methylpyridyl
(C5N) residues (each plane has a r.m.s. deviation of the respective fitted atoms of 0.0066 A ° ). The dihedral angles between the core and the thiourea and
pyridyl residues are 20.25 (8) and 7.60 (9)⁰, respectively, indicating twists in the molecule; the dihedral angle between the outer planes is 13.62 (7)⁰. There is an
anti-disposition of the amine-N—H atoms which allows for the formation of an intramolecular amine-N—H...N(imine) hydrogen bond that closes an S(5) loop. In the crystal, amine-N—H...N(pyridyl) hydrogen bonds lead to zigzag
(glide symmetry) supramolecular chains along the c-axis direction. These are connected into a supramolecular layer propagating in the bc plane by thioamide- N—H...S(thione) hydrogen bonds via eight-membered thioamide {...HNCS}2
synthons. |
| first_indexed | 2025-11-14T21:14:38Z |
| format | Article |
| id | sunway-747 |
| institution | Sunway University |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-14T21:14:38Z |
| publishDate | 2018 |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | sunway-7472020-10-07T09:15:30Z http://eprints.sunway.edu.my/747/ 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis Lai, Lee Chin Che Nursarah Che AbdulRahman, M. Ibrahim M.Tahir, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * QD Chemistry The title disubstituted thiourea derivative, C10H14N4S, features an almost planar imine (E configuration, C3N) core flanked by thiourea (CN2S) and methylpyridyl (C5N) residues (each plane has a r.m.s. deviation of the respective fitted atoms of 0.0066 A ° ). The dihedral angles between the core and the thiourea and pyridyl residues are 20.25 (8) and 7.60 (9)⁰, respectively, indicating twists in the molecule; the dihedral angle between the outer planes is 13.62 (7)⁰. There is an anti-disposition of the amine-N—H atoms which allows for the formation of an intramolecular amine-N—H...N(imine) hydrogen bond that closes an S(5) loop. In the crystal, amine-N—H...N(pyridyl) hydrogen bonds lead to zigzag (glide symmetry) supramolecular chains along the c-axis direction. These are connected into a supramolecular layer propagating in the bc plane by thioamide- N—H...S(thione) hydrogen bonds via eight-membered thioamide {...HNCS}2 synthons. 2018 Article PeerReviewed text en http://eprints.sunway.edu.my/747/1/Tiekink%203-Methyl-1-%284-methylpyridin-2-yl%29.pdf Lai, Lee Chin and Che Nursarah Che AbdulRahman, and M. Ibrahim M.Tahir, and Ravoof, Thahira Begum S. A. and Jotani, Mukesh M. and Tiekink, Edward R. T. * (2018) 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis. Acta Crystallographica Section E Crystallographic Communications, 74 (2). pp. 256-260. ISSN 2056-9890 http://doi.org/10.1107/S2056989018001305 doi:10.1107/S2056989018001305 |
| spellingShingle | QD Chemistry Lai, Lee Chin Che Nursarah Che AbdulRahman, M. Ibrahim M.Tahir, Ravoof, Thahira Begum S. A. Jotani, Mukesh M. Tiekink, Edward R. T. * 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title | 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title_full | 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title_fullStr | 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title_full_unstemmed | 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title_short | 3-Methyl-1-{(E)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and Hirshfeld surface analysis |
| title_sort | 3-methyl-1-{(e)-[1-(4-methylpyridin-2-yl)ethylidene]amino}thiourea: crystal structure and hirshfeld surface analysis |
| topic | QD Chemistry |
| url | http://eprints.sunway.edu.my/747/ http://eprints.sunway.edu.my/747/ http://eprints.sunway.edu.my/747/ http://eprints.sunway.edu.my/747/1/Tiekink%203-Methyl-1-%284-methylpyridin-2-yl%29.pdf |