3-Benzoyl-1-(2-meth-oxy-phen-yl)thio-urea.

ABSTRACT: In the title compound, C15H14N2O2S, the central C2N2OS moiety is planar (r.m.s. deviation of fitted atoms = 0.0336?Å). This is ascribed to the formation of an S(6) loop stabilized by an intra-molecular N-H?O hydrogen bond; additional intramolecular N-H?O and C-H?S contacts are also noted. The dihedral angles between the central unit and the phenyl and benzene rings are 23.79?(7) and 29.52?(5)°, respectively. The thione S and ketone O atoms are mutually anti, as are the N-H H atoms; the O atoms lie to the same side of the mol-ecule. Centrosymmetric eight-membered {?HNC=S}2 synthons feature in the crystal packing. The resulting inversion dimers stack along the a axis and are connected into a three-dimensional structure by C-H?O and C-H?? inter-actions.

SUBMITTER: Selvakumaran N 

PROVIDER: S-EPMC3588812 | biostudies-other | 2012 Dec

REPOSITORIES: biostudies-other