3-(4-Fluoro-benz-yl)-1H-isochromene-1-thione.

ABSTRACT: In the mol-ecule of the title compound, C(16)H(11)FOS, the benzene ring is oriented at a dihedral angle of 89.68 (3)° with respect to the planar [maximum deviation 0.009 (2) Å] isocoumarin ring system. An intra-molecular C-H⋯S inter-action results in the formation of a planar five-membered ring. In the crystal structure, inter-molecular C-H⋯O hydrogen bonds link the mol-ecules into chains parallel to the c axis. A π-π contact between the isocoumarin rings [centroid-centroid distance = 3.818 (3) Å] may further stabilize the structure.

SUBMITTER: Babar TM 

PROVIDER: S-EPMC2968631 | biostudies-literature | 2009 Feb

REPOSITORIES: biostudies-literature