Crystal Engineering with Multipoint Halogen Bonding: Double Two‐Point Donors and Acceptors at Work

Abstract

The combination of singly or doubly bidentate halogen-bond donors with double bidentate acceptors was investigated as a supramolecular synthon in crystal engineering. The crystal topologies obtained feature novel halogen-bonding motifs like double two-point recognition and infinite chains or networks based on two-point interactions. Induced conformational changes in the double bidentate halogen-bond donors could be exploited to obtain different 1D and 2D networks. All solid-state studies were accompanied by DFT calculations to predict and rationalize the outcome.