C-H***O BASED SOLID STATE SUPRAMOLECULAR ASSEMBLY:CRYSTAL STRUCTURE OF THE 1:2 COMPLEX OF TRIS-(2PHENETHYL)ISOCYANURATE-1,3,5-TRINITROBENZENE. Venkat R.Thalladi,^a Amy K.Katz,^b H.L.Carrell^b and Gautam R.Desiraju^.a a.School of Chemistry, University of Hyderabad, Hyderabad 500 046, India b. Fox Chase Cancer Center, 7701 Burholme Avenue, Philadelphia, PA 19111, USA

Use of weak intermolecular interactions, especially C-H*** O hydrogen bonds in the deliberate design of utilitarian crystal structures is a continuing challenge in crystal engineering.¹ We have shown that C-H***O hydrogen bonds play a vital role in stabilising the crystal structure of the 1:1 complex formed by trimethylisocyanurate, 1 and 1,3,5-trinitrobenzene, 3.² This observation lead us to investigate structures governed solely by C-H***O hydrogen bonds. Accordingly, we crystallised the 1:2 complex of tris-(2-phenethyl)isocyanurate, 2 and 3. In this structure, molecules of 2 and 3 form distinct stepwise linear supramolecular chains, assembled with C-H***O hydrogen bonds.

References:

1 G.R.Desiraju, Crystal Engineering. The Design of Organic Solids,

Elsevier, Amsterdam, 1989; G.R.Desiraju, Angew.Chem.Int.Ed.

Engl., 1995, 34, 2311.

2 V.R.Thalladi, K.Panneerselvam, C.J.Carrell, H.L.Carrell and

G.R.Desiraju,J.Chem.Soc., Chem.Commun., 1995, 341.