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

Khan, Nawaz F and Manivel, P and Roopan, Mohana S and Hathwar, Venkatesha R and Akkurt, Mehmet (2010) 3-tert-Butyl-1H-isochromene-1-thione. In: Acta Crystallographica Section E, 66 (Part 6). O1470-U1938.

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Official URL: http://scripts.iucr.org/cgi-bin/paper?S16005368100...

Abstract

The title compound, C13H14OS, 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.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Date Deposited: 23 Jun 2010 04:49
Last Modified: 19 Sep 2010 06:09
URI: http://eprints.iisc.ernet.in/id/eprint/28569

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