Crystal structure of 1-(4-methyl­phen­yl)-3-(propan-2-yl­idene­amino)­thio­urea

Acta Crystallographica Section E: Crystallographic Communications

Tiekink, E.R.T.¹  Yeo, C.I.¹  Jotani, M.M.² 

[1] Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia;Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380001, India

关键词: CRYSTAL STRUCTURE;    HYDROGEN BONDING;    THIOUREA DERIVATIVE;    THIOSEMICARBAZONE;    HIRSHFELD SURFACE ANALYSIS;   

DOI  :  10.1107/S2056989015017624

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

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.

【 授权许可】

CC BY