Methyl 3-(3-benzoyl-thio-ureido)propano-ate

Abstract

In the title compound, C(12)H(14)N(2)O(3)S, the propyl acetate group and the benzoyl group adopt a cis-trans conformation, respectively, with respect to the thiono S atom across the C-N bonds. The phenyl ring is twisted relative to the the thio-urea mean plane, forming a dihedral angle of 24.16 (9)°. An intra-molecular N-H⋯O hydrogen bond occurs. The crystal packing is stabilized by inter-molecular N-H⋯O and C-H⋯O hydrogen bonds, forming a chain along the a axis.

Fig. 1.

The molecular structure of (I), with the atom labeling scheme. Displacement ellipsoids are drawn at the 50% probability level. Hydrogen bond is shown as dashed line and H atoms are represented as small spheres of arbitrary radii.

Fig. 2.

Partial packing view of (I) showing the chain formed by N-H···O and C-H···O hydrogen bonds which are shown as dashed lines. H atoms not involved in hydrogen bonding have been omitted for clarity. [Symmetry codes: (i) x+1, y, z; (ii) -x, -y+1, -z+1]