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

Hathwar, Venkatesha R. and Manivel, P and Khan, F Nawaz and Row, TN Guru (2009) Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs. In: CrystEngComm, 11 (2). pp. 284-291.

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Abstract

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 center dot center dot center dot S, a C=S center dot center dot center dot pi interaction is found in one of the case studies. The importance of such interactions in crystal structure packing along with routine C-H center dot center dot center dot pi and pi center dot center dot center dot pi interactions is examined in the context of overall stability in the molecular assembly. The C=S center dot center dot center dot pi interactions in comparison to C=O center dot center dot center dot pi interactions have been analyzed using the Cambridge Structural Database (CSD).

Item Type: Journal Article
Additional Information: Copyright of this article belongs to Royal Society of Chemistry.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Depositing User: Rajalaxmi Ashok Govanakoppa
Date Deposited: 01 May 2009 04:45
Last Modified: 19 Sep 2010 05:26
URI: http://eprints.iisc.ac.in/id/eprint/19072

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