3-Acetyl-1-(2,3-dimethyl-phen-yl)thio-urea.

ABSTRACT: In the crystal structure of the title compound, C(11)H(14)N(2)OS, the conformation of the two N-H bonds is anti. The conformation of the C=S and the C=O bonds is also anti. Furthermore, the N-H bond adjacent to the benzene ring is anti to the ortho- and meta-methyl groups. The dihedral angle between the benzene ring and the side chain [N-C(= S)-N-C(=O)-C; maximum deviation = 0.047?(4)?Å] is 81.33?(10)°. The NH hydrogen adjacent to the benzene ring and the amide O atom exhibit bifurcated intra- and inter-molecular hydrogen bonding. In the crystal, mol-ecules form inversion dimers, which are linked into chains via R(2) (2)(12) and R(2) (2)(8) networks.

SUBMITTER: Kumar S 

PROVIDER: S-EPMC3393991 | biostudies-literature | 2012 Jul

REPOSITORIES: biostudies-literature