Diamondoid and square grid networks in the same structure. Crystal engineering with the iodo center dot center dot center dot nitro supramolecular synthon

In principle, an organic diamondoid structure could follow from any of four possibilities: a single molecule of the type AX4 assembles via XX interactions; two molecules, e.g. AX4 and BY4, assemble via XY interactions; either of the first two possibilities is modified with appropriate linear spacer molecules; a single molecule AX2Y2 assembles via XY interactions. This communication deals with the last possibility, wherein the XY link is based on the polarization-assisted IO2N synthon. A notable feature of the crystal structure of 4,4-diiodo-4,4-dinitrotetraphenylmethane (1) is the existence of a divergent mode of iodo-nitro association. The Td nodes of 1 are interconnected with the I atom bifurcated by O atoms from two NO2 groups such that each molecule of 1 is connected to eight others through IO contacts. The result is a combination of 5-fold diamondoid and 3-fold square grid networks. All IO interactions observed are short and strong, and there is a pronounced tendency to achieve close packing with the two coexisting networks.

Diamondoid and square grid networks in the same structure. Crystal engineering with the iodo center dot center dot center dot nitro supramolecular synthon Academic Article