1-(2-Chloro-phen-yl)-3-(2-ethyl-hexa-noyl)thio-urea.

ABSTRACT: In the title compound, C15H21ClN2OS, the central chromophore moiety (C2N2OS) is approximately planar, with a maximum deviation of -0.027?(1)?Å, and is oriented at a dihedral angle of 86.7?(1)° with respect to the chloro-phenyl ring. An intra-molecular N-H?O hydrogen bond stabilizes the mol-ecular conformation. In the crystal, mol-ecules associate via N-H?S hydrogen bonds, forming inversion dimers with motif R 2 (2)(8). These dimers are further connected by N-H?O hydrogen bonds, forming R 2 (2)(12) dimers. As a result, hydrogen-bonded chains running along [110] are formed. C-H?S inter-actions also occur. The terminal two C atoms of the butyl chain are disordered over two positions with an occupancy ratio of 0.54:0.46.

SUBMITTER: Santhakumari R 

PROVIDER: S-EPMC3793726 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature