作者: Christer B. Aakeröy , Tharanga K. Wijethunga , Mohammad Abul Haj , John Desper , Curtis Moore
DOI: 10.1039/C4CE00803K
关键词: Halogen bond 、 Halogen 、 Molecule 、 Hydrogen bond 、 Crystallography 、 Acceptor 、 Stereochemistry 、 Chemistry 、 Intermolecular force
摘要: In order to examine the competition between hydrogen bonds and halogen when confronted with a probe molecule containing multiple potential acceptor sites one hydrogen-bond donor, five heteroaryl-2-imidazoles were synthesized subsequently co-crystallized fifteen different halogen-bond donors. 30 of 75 experiments resulted in formation co-crystals, these produced crystals suitable for single-crystal X-ray diffraction analysis. A systematic analysis primary intermolecular interactions structures shows that bond is formed best site (as predicted by DFT molecular electrostatic surface calculations) demonstrating suitably activated iodine-based donor can compete strong directed assembly solid-state architectures.