Issue 2, 2009
From the journal:

CrystEngComm

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

Venkatesha R. Hathwar,a   P. Manivel,b   F. Nawaz Khanb  and  T. N. Guru Row*a  

* Corresponding authors

a Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore, India
E-mail: ssctng@sscu.iisc.ernet.in
Fax: +91-080-23601310
Tel: +91-080-22932796

b School of Sciences and Humanities, Chemistry Unit, VIT University, Vellore, India

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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Article information

DOI
https://doi.org/10.1039/B807896C
Article type
Paper
Submitted
08 May 2008
Accepted
19 Aug 2008
First published
07 Nov 2008

CrystEngComm, 2009,11, 284-291

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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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