• Citer

Structures of alkyl-substituted Trögers base derivatives illustrate the importance of Z′ for packing in the absence of strong crystal synthons

par Vande Velde, Christophe ;Tylleman, Benoît ;Zeller, Matthias;Sergueev, Serguei
Référence Acta crystallographica. Section B, Structural science, 66, 4, page (472-481)
Publication Publié, 2010

Article révisé par les pairs

• Détails
• Contenu

Résumé :

Crystal structures of Trögers 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. © 2010 International Union of Crystallography Printed in Singapore - all rights reserved.