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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 ?-? 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

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

Babar Tariq Mahmood TM   Qadeer Ghulam G   Rama Nasim Hasan NH   Khawar Rauf Muhammad M   Wong Wai-Yeung WY  

Acta crystallographica. Section E, Structure reports online 20090211 Pt 3

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)   ...[more]

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