Please use this identifier to cite or link to this item:
Title: Molecular assembly of dithiaparacyclophanes mediated by non-covalent X⋯X, X⋯Y and C-H⋯X (X, Y=Br, S, N) interactions
Authors: Xu, J.
Wang, W.-L.
Lin, T.
Sun, Z.
Lai, Y.-H. 
Keywords: Bromine-bromine interaction
Halogen bonding
Molecular assembly
Issue Date: Dec-2008
Citation: Xu, J., Wang, W.-L., Lin, T., Sun, Z., Lai, Y.-H. (2008-12). Molecular assembly of dithiaparacyclophanes mediated by non-covalent X⋯X, X⋯Y and C-H⋯X (X, Y=Br, S, N) interactions. Supramolecular Chemistry 20 (8) : 723-730. ScholarBank@NUS Repository.
Abstract: Regioselectivity for the 5,8,15,18-substituted isomer over the 5,8,14,17-isomer was observed in a series of mercaptan-bromide coupling reactions leading to the formation of 2,11-dithia[3.3]paracyclophanes. Their molecular assembly was established by X-ray crystallographic studies. In the crystal packing of these paracyclophanes, several types of non-covalent interactions including halogen-halogen interaction, halogen-bonding interaction, weak hydrogen-bonding interaction, etc. are observed in crystals 3a, 3b and 3c. There is evidence to indicate that weak non-covalent Br⋯Br, Br⋯S, Br⋯N, C-H⋯S, S⋯S and C-H⋯N interactions play an important role in governing their molecular assembly assumed in the solid state. The attractive interactions of Br⋯Br, Br⋯S and Br⋯N are also rationalised and supported in terms of the density functional theory calculations.
Source Title: Supramolecular Chemistry
ISSN: 10610278
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.


checked on Mar 5, 2018


checked on Apr 30, 2018

Page view(s)

checked on Feb 25, 2018

Google ScholarTM


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.