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

ABSTRACT: The title compound, C(13)H(14)OS, crystallizes with two independent mol-ecules 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 mol-ecule occupies this void. The crystal structure is stabilized by ?-? inter-actions between the isocoumarin ring systems, with centroid-centroid distances of 3.6793?(14) and 3.6566?(15)?Å.

SUBMITTER: Khan FN 

PROVIDER: S-EPMC2979407 | biostudies-literature | 2010 May

REPOSITORIES: biostudies-literature

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

Khan F Nawaz FN   Manivel P P   Roopan S Mohana SM   Hathwar Venkatesha R VR   Akkurt Mehmet M  

Acta crystallographica. Section E, Structure reports online 20100526 Pt 6

The title compound, C(13)H(14)OS, crystallizes with two independent mol-ecules 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 mol-ecule occupies this void. The crystal structure is stabilized by π-π inter-actions between the isocoumarin ring systems, with centroid-centroid distances of 3.6793 (14) and 3.6566 (15) Å. ...[more]

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