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 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.

Nawaz Khan F

Department of Chemistry

School of Advanced Sciences

Vellore Campus

Mohana Roopan S

Manivel P

Hathwar V.R

Akkurt M.

Fulltext

Vellore Institute of Technology (VIT) is a private university located in&nbsp;Tamil Nadu, India. Founded in 1984, as Vellore Engineering College, the institution offers 20 undergraduate, 34 postgraduate, four integrated and four research programs. It has campuses in Vellore, Amravati, Bhopal and Chennai.

VIT is one of the top ranked private universities in India according to NIRF, THE and QS Rankings.&nbsp;Govt. of India has recognized&nbsp;VIT, Vellore as an&nbsp;Institution of Eminence. This has allowed VIT to take independent quality initiatives and move up in world ranking.

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VIT University

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

Acta Crystallographica Section E Structure Reports Online

Chemistry of Heterocyclic Compounds

Syntheses of some 3-substituted isothiochromen-1-ones

Five derivatives of thioisocoumarin bearing aromatic and nonaromatic ring systems have been synthesized and characterized to unravel the importance of interactions due to the presence of a sulfur atom in generating packing motifs in the crystalline state. Apart from the well characterized interactions like C-H⋯S, a CS⋯π interaction is found in one of the case studies. The importance of such interactions in crystal structure packing along with routine C-H⋯π and π⋯π interactions is examined in the context of overall stability in the molecular assembly. The CS⋯π interactions in comparison to CO⋯π interactions have been analyzed using the Cambridge Structural Database (CSD). © 2009 The Royal Society of Chemistry.

CrystEngComm

Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs

3-Butyl-1H-isochromen-1-one

Acta Crystallographica Section D Biological Crystallography

Structure validation in chemical crystallography

Journal of the Chilean Chemical Society

SYNTHESIS OF O-SUBSTITUTED BENZOPHENONES BY GRIGNARD REACTION OF 3-SUBSTITUTED ISOCOUMARINS

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

Journal	Acta Crystallographica Section E Structure Reports Online
Publisher	International Union of Crystallography (IUCr)
ISSN	16005368
Open Access	Yes