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 uri icon


  • 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.

published proceedings


author list (cited authors)

  • Thaimattam, R., Sharma, C., Clearfield, A., & Desiraju, G. R.

citation count

  • 81

complete list of authors

  • Thaimattam, R||Sharma, CVK||Clearfield, A||Desiraju, GR

publication date

  • February 2001