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

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 Å(3), 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 mo...

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Detalles Bibliográficos
Autores principales: Khan, F. Nawaz, Manivel, P., Roopan, S. Mohana, Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979407/
https://www.ncbi.nlm.nih.gov/pubmed/21579538
http://dx.doi.org/10.1107/S1600536810019422
Descripción
Sumario: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 Å(3), 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.

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