3-tert-Butyl-1H-isochromene-1-thione


Khan F. N. , Manivel P., Roopan S. M. , Hathwar V. R. , AKKURT M.

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, cilt.66, 2010 (SCI İndekslerine Giren Dergi) identifier identifier identifier

  • Cilt numarası: 66
  • Basım Tarihi: 2010
  • Doi Numarası: 10.1107/s1600536810019422
  • Dergi Adı: ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE

Özet

The title compound, C(13)H(14)OS, crystallizes with two independent molecules in the asymmetric unit. The unit cell contains three voids of 197 angstrom(3), but the residual electron density (highest peak = 0.24 e angstrom(-3) and deepest hole = -0.18 e angstrom(-3)) in the difference Fourier map suggests no solvent molecule occupies this void. The crystal structure is stabilized by pi-pi interactions between the isocoumarin ring systems, with centroid-centroid distances of 3.6793 (14) and 3.6566 (15) angstrom.