Study of host–guest interactions in benzodiazacoronands by means of solid state NMRspectroscopy, X-ray diffraction and quantum mechanical computations†
Abstract
In this work we present solid state data for five host–guest complexes formed by N-(4,19-dioxo-2,8,15,21-tetraoxa-5,18-diazatricyclohexacosa-1(25),9(14),10,12,22(26),23-hexaen-26-yl)-benzamide (1) belonging to the group of benzodiazacoronands, achiral compounds for which chiral crystals were found (J. Kalisiak and J. Jurczak, Cryst. Growth Des., 2006, 6, 20). The X-ray structure was resolved for four of them. It was found that 1 crystallizes in P21/c, P and P21/n achiral space groups. Differentiation of molecular packing and the presence of guest molecules within the crystal lattice were analyzed with