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3-Methyl-1-{(E)-[1-(4-methyl­pyridin-2-yl)ethyl­idene]amino}­thio­urea: crystal structure and Hirshfeld surface analysis

The title disubstituted thio­urea derivative, C(10)H(14)N(4)S, features an almost planar imine (E configuration, C(3)N) core flanked by thio­urea (CN(2)S) and methyl­pyridyl (C(5)N) residues (each plane has a r.m.s. deviation of the respective fitted atoms of 0.0066 Å). The dihedral angles between t...

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Detalles Bibliográficos
Autores principales: Lai, Lee Chin, Rahman, Che Nursarah Binti Che Abdul, Tahir, M. Ibrahim M., Ravoof, Thahira B. S. A., Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2018
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5956349/
https://www.ncbi.nlm.nih.gov/pubmed/29850066
http://dx.doi.org/10.1107/S2056989018001305
Descripción
Sumario:The title disubstituted thio­urea derivative, C(10)H(14)N(4)S, features an almost planar imine (E configuration, C(3)N) core flanked by thio­urea (CN(2)S) and methyl­pyridyl (C(5)N) residues (each plane has a r.m.s. deviation of the respective fitted atoms of 0.0066 Å). The dihedral angles between the core and the thio­urea and pyridyl residues are 20.25 (8) and 7.60 (9)°, respectively, indicating twists in the mol­ecule; the dihedral angle between the outer planes is 13.62 (7)°. 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.