Title of article :
Crystal structure of 1-(4-methylphenyl)-3-(propan-2-ylideneamino)thiourea
Author/Authors :
Jotani, Mukesh M. Department of Physics - Bhavan's Sheth R. A. College of Science, India , Yeob, Chien Ing Department of Chemistry - University of Malaya, Malaysia , Tiekinkb, Edward R. T. Department of Chemistry - University of Malaya, Malaysia
Abstract :
In the title thiosemicarbazone, C11H15N3S, the p-tolyl-N—H and imino-N—H groups are anti and syn, respectively, to the central thione-S atom. This allows for the formation of an intramolecular p-tolyl-N—H⋯N(imino) hydrogen bond. The molecule is twisted with the dihedral angle between the p-tolyl ring and the non-hydrogen atoms of the N=CMe2 residue being 29.27 (8)°. The crystal packing features supramolecular layers lying in the bc plane whereby centrosymmetric aggregates sustained by eight-membered thioamide {⋯HNCS}2 synthons are linked by further N—H⋯S hydrogen bonds. Layers are connected via methyl-C—H⋯π interactions. The supramolecular aggregation was further investigated by an analysis of the Hirshfeld surface and comparison made to related structures.
Keywords :
crystal structure , hydrogen bonding , Hirshfeld surface analysis , thiosemicarbazone , thiourea derivative
Journal title :
Acta Crystallographica Section E: Crystallographic Communications