Research Article: 1-Benzoyl-3-methyl-3-pentyl­thio­urea

Date Published: May 01, 2011

Publisher: International Union of Crystallography

Author(s): N. Gunasekaran, P. Jerome, R. Karvembu, Seik Weng Ng, Edward R. T. Tiekink.


Two independent mol­ecules comprise the asymmetric unit of the title compound, C14H20N2OS. These differ in the relative orientations of the pentyl chains [C—C—C—C torsion angles = −176.7 (3) and 176.4 (3)°]. Significant twists are evident in each mol­ecule, the dihedral angles formed between the thio­urea and amide residues being 53.47 (17) and 55.81 (17)°. In the crystal, each mol­ecule self-associates via a centrosymmetric eight-membered {⋯HNC=S}2 synthon, and these are connected into a supra­molecular chain along [110] via C—H⋯O contacts. Disorder is noted for one of the independent mol­ecules in that two orientations (50:50) were resolved for its benzene ring.

Partial Text

For the coordination potental of thio­urea derivatives, see: Pisiewicz et al. (2010 ▶). For pharmaceutical applications of thio­ruea deriavives, see: Venkatachalam et al. (2004 ▶); Bruce et al. (2007 ▶). For applications of thio­urea derivatives in catalysis, see: Gunasekaran et al. (2010 ▶, 2011 ▶). For closely related structures, see: Gunasekaran et al. (2010a ▶,b ▶,c ▶).




0 0 vote
Article Rating
Notify of
Inline Feedbacks
View all comments