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Updated: May 31, 2026

Modification and Functionalization of the Guanidine Group by Tailor-made Precursors
Published on: April 27, 2017
1-Benzoyl-3-methyl-3-pentyl-thio-urea
Abstract:
Two independent mol-ecules comprise the asymmetric unit of the title compound, C(14)H(20)N(2)OS. 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 mol-ecule, the dihedral angles formed between the thio-urea and amide residues being 53.47 (17) and 55.81 (17)°. In the crystal, each mol-ecule self-associates via a centrosymmetric eight-membered {⋯HNC=S}(2) synthon, and these are connected into a supra-molecular chain along [110] via C-H⋯O contacts. Disorder is noted for one of the independent mol-ecules in that two orientations (50:50) were resolved for its benzene ring.
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