Affiliations 

  • 1 Department of Chemistry, Faculty of Science, Universiti Putra Malaysia, 43400 UPM Serdang, Selangor Darul Ehsan, Malaysia
  • 2 Department of Physics, Bhavan's Sheth R. A. College of Science, Ahmedabad, Gujarat 380 001, India
  • 3 Research Centre for Crystalline Materials, School of Science and Technology, Sunway University, 47500 Bandar Sunway, Selangor Darul Ehsan, Malaysia
Acta Crystallogr E Crystallogr Commun, 2018 Feb 01;74(Pt 2):256-260.
PMID: 29850066 DOI: 10.1107/S2056989018001305

Abstract

The title disubstituted thio-urea derivative, C10H14N4S, features an almost planar imine (E configuration, C3N) core flanked by thio-urea (CN2S) and methyl-pyridyl (C5N) 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 thio-urea and pyridyl residues are 20.25 (8) and 7.60 (9)°, respectively, indicating twists in the mol-ecule; 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 intra-molecular amine-N-H⋯N(imine) hydrogen bond that closes an S(5) loop. In the crystal, amine-N-H⋯N(pyrid-yl) hydrogen bonds lead to zigzag (glide symmetry) supra-molecular chains along the c-axis direction. These are connected into a supra-molecular layer propagating in the bc plane by thio-amide-N-H⋯S(thione) hydrogen bonds via eight-membered thio-amide {⋯HNCS}2 synthons.

* Title and MeSH Headings from MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.