1-{(E)-[4-(4-Meth-oxy-phen-yl)butan-2-yl-idene]amino}-3-methyl-thio-urea.

ABSTRACT: Two independent mol-ecules comprise the asymmetric unit of the title compound, C(13)H(19)N(3)OS, which differ in the conformations of the residues linking the thio-urea and the terminal benzene ring, as manifested in the C(m)-C(m)-C(a)-C(a) torsion angles [78.03?(16) and -93.64?(16)°, respectively; m = methyl-ene and a = aromatic]. The dihedral angles [84.40?(4) and 88.28?(5)°] formed between the thio-urea residue and the benzene ring indicate an almost orthogonal relationship. In each thio-urea residue, the N-H hydrogen atoms are anti, and the terminal N-H hydrogen atom forms an intra-molecular N-H?N hydrogen bond with the imine-N atom. In each case, the conformation about the imine C=N double bond [1.2812?(17) and 1.2801?(17)?Å] is E. In the crystal, the mol-ecules are connected by N-H?S hydrogen bonds and these are connected into four mol-ecule aggregates via N-H?O hydrogen bonds, which are assembled into a two-dimensional array parallel to (011) via C-H?? and ?-? inter-actions [ring centroid-centroid distance = 3.8344?(9)?Å].

SUBMITTER: Tan MY 

PROVIDER: S-EPMC3344575 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature