Title
Secondary interactions in the crystal structures of three 1,2,4,5-tetrakis(bromomethyl)-3,6-bis(2-alkoxy)benzenes Secondary interactions in the crystal structures of three 1,2,4,5-tetrakis(bromomethyl)-3,6-bis(2-alkoxy)benzenes
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Amsterdam ,
Subject
Chemistry
Source (journal)
Journal of molecular structure. - Amsterdam
Volume/pages
1016(2012) , p. 109-117
ISSN
0022-2860
ISI
000304634600014
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Crystal structures of three 1,2,4,5-tetrakis(bromomethyl:)-3,6-bis(2-alkoxy)benzenes 1-3 with different length and branching of alkyl chains are analyzed. X-ray structure determinations showed relatively undistorted molecular structures. Crystal packing is defined by networks of C-H center dot center dot center dot Br weak hydrogen bonds, short Br center dot center dot center dot Br contacts, and one particularly short C-H center dot center dot center dot pi contact, although the major share of the cohesive energy of the structures is due to dispersion interactions. Z' = 2 for 1 can be explained in terms of these interactions, which were shown to be stronger between the asymmetric pairs of molecules with the help of OPiX calculations. Surprisingly, the role of the oxygen atoms in intermolecular crystal packing is relatively small. (C) 2012 Elsevier B.V. All rights reserved.
E-info
https://repository.uantwerpen.be/docman/iruaauth/29f0ef/f142018.pdf
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