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Issue 2, 2009
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Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs

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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⋯S, a C[double bond, length as m-dash]S⋯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 C[double bond, length as m-dash]S⋯π interactions in comparison to C[double bond, length as m-dash]O⋯π interactions have been analyzed using the Cambridge Structural Database (CSD).

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

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Supplementary files

Article information


Submitted
08 May 2008
Accepted
19 Aug 2008
First published
07 Nov 2008

CrystEngComm, 2009,11, 284-291
Article type
Paper

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

V. R. Hathwar, P. Manivel, F. Nawaz Khan and T. N. Guru Row, CrystEngComm, 2009, 11, 284 DOI: 10.1039/B807896C

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