Crystal structure of 1-benzoyl-3-(4-fluoro-phen-yl)thio-urea.

ABSTRACT: The title compound, C14H11FN2OS, contains two mol-ecules (A and B) in the asymmetric unit, with different conformations. In mol-ecule A, the dihedral angles between the central thio-urea grouping and the phenyl and fluoro-benzene rings are 28.77?(8) and 41.82?(8)°, respectively, and the dihedral angle between the ring planes is 70.02?(9)°. Equivalent data for mol-ecule B are 8.46?(8), 47.78?(8) and 52.99?(9)°, respectively. Both mol-ecules feature an intra-molecular N-H?O hydrogen bond, which closes an S(6) ring. In the crystal, A+B dimers linked by pairs of N-H?S hydrogen bonds generate R 2 (2)(8) loops.

SUBMITTER: Jassas RS 

PROVIDER: S-EPMC4186107 | biostudies-literature | 2014 Sep

REPOSITORIES: biostudies-literature