Research Article: 3-tert-Butyl-1H-isochromene-1-thione

Date Published: June 01, 2010

Publisher: International Union of Crystallography

Author(s): F. Nawaz Khan, P. Manivel, S. Mohana Roopan, Venkatesha R. Hathwar, Mehmet Akkurt.


The title compound, C13H14OS, crystallizes with two independent mol­ecules in the asymmetric unit. The unit cell contains three voids of 197 Å3, but the residual electron density (highest peak = 0.24 e Å−3 and deepest hole = −0.18 e Å−3) in the difference Fourier map suggests no solvent mol­ecule occupies this void. The crystal structure is stabilized by π–π inter­actions between the isocoumarin ring systems, with centroid–centroid distances of 3.6793 (14) and 3.6566 (15) Å.

Partial Text

For the crystal structure and synthesis of isocoumarin and its thio­analogues, see: Hathwar et al. (2007a ▶,b ▶, 2009 ▶); Manivel et al. (2008 ▶); Basvanag et al. (2009 ▶); Henerson & Hill (1982 ▶).




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