3-Methyl-1-{(E)-[1-(4-methyl-pyridin-2-yl)ethyl-idene]amino}-thio-urea: crystal structure and Hirshfeld surface analysis.

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 s

SUBMITTER: Lai LC 

PROVIDER: S-EPMC5956349 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature