Crystalline inclusion compounds of lower rim propyl substituted calix[4]arenes featuring different number and positions of the modifying groups

Involvement of organic fluorine substitution in the crystalline packing structures of tricyclic Diels–Alder adducts derived from diarylfulvenes and N-arylimides

“…The cell similarity (p), the isostructurality [Is] as well as the molecular isometricity indices [Im] were calculated for those compounds making possible a reasonable numerical comparison [35][36][37][38]. Within this frame, the effects of the different degree of fluorination on the N-phenyl ring and the halogenation of the methylidene bound phenyl groups on the packing arrangements of the molecules were investigated.…”

Unusual Behavior of a Calix[4]arene Featuring the Coexistence of Basic Cone and 1,2-Alternate Conformations in a Solvated Crystal

“…In the solid state, calixarenes were found to exhibit up to now only one of the basic conformations, although in some cases slight geometrical differences of calixarene molecules in a crystal lattice lead to more than one of these host molecules in the asymmetric unit, depending on intramolecular interactions or particular packing effects . Related solvate structures of calix[4]arenes bearing two distal etherified aromatic units consistently are known to adopt the cone conformation, including in all cases one guest cavitat-like in the chalice. − In contrast and to the best of our knowledge, there is only one example of a related monodesoxy-calix[4]arene in the literature, showing the coexistence of two different conformations in one solid state structure …”

Fine tuning of crystal architecture by intermolecular interactions: synthon engineering

“…With regard to this, calixarenes represent one of the most investigated compound types due to their easy availability, conformational flexibility, tunable amphiphilic properties, and versatile inclusion features. [12][13][14][15][16][17][18][19] A series of calixarene crystal structures are presented where spatial requirements have a determining role in the crystal packing over the electrostatic interactions and vice versa where the electrostatic effects are the driving forces of the conformation and packing behaviour. A series of laterally substituted calixarenes demonstrate how the well balanced spatial requirements and electrostatic forces play a role in the arrangement of packing motifs in the crystals.…”