N. Giordano, S. Parsons
Dec 1, 2017
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Journal
Acta Crystallographica Section A
Abstract
The non-covalent interaction between donor atoms and halogen acceptors can be used in crystal engineering to promote chain formation. In the case of 4-iodobenzonitrile, a strong cyano donor aligns with the σ-hole, a region of positive electrostatic potential, in the highly polarizable iodine atom, causing structure-directing N...I interactions resulting in an I2/a (Z=4) crystal structure where antiparallel stacked linear chains form along the b-axis with layers along the ab plane. The N...I intermolecular distance is shorter than the sum of van der Waals radii, and it is therefore of interest to investigate the chemical effect of pressure-induced shortening on this intermolecular interaction.[1]