Title
Structures of alkyl-substituted Troger's base derivatives illustrate the importance of Z ' for packing in the absence of strong crystal synthons Structures of alkyl-substituted Troger's base derivatives illustrate the importance of Z ' for packing in the absence of strong crystal synthons
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Copenhagen ,
Subject
Chemistry
Source (journal)
Acta crystallographica: section B: structural science. - Copenhagen
Volume/pages
66(2010) :4 , p. 472-481
ISSN
0108-7681
ISI
000279806100008
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
Crystal structures of Troger's base (5,11-methano-2,8-dimethyl-5,6,11,12-tetrahydrodibenzo[b, f][1,5] diazocine) analogues with the methyl groups replaced by ethyl, iso-propyl and tert-butyl groups were studied. The incidence of Z' > 1 structures increases to rather conspicuous levels. The reasons behind this trend are expanded upon, and a possible explanation is given in the flexibility of the alkyl substituents and van der Waals stabilization. In combination these effects allow for an additional stabilization of the packing by small changes in the molecular conformations, thus expanding the size of the asymmetric unit.
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