COMPLEXATION WITH DIOL HOST COMPOUNDS .9. STRUCTURES AND THERMAL ANALYSES OF INCLUSION-COMPOUNDS OF TRANS-9,10-DIHYDROXY-9,10-DIPHENYL-9,10-DIHYDROANTHRACENE WITH ACETONITRILE AND 3-HYDROXYPROPIONITRILE

The host compound (H), trans-9,10-dihydroxy-9,10-diphenyl-9,10-dihydroanthracene forms inclusion compounds with acetonitrile (compound 1) and 3-hydroxypropionitrile (compound 2) both with host: guest ratio of 1:2. Crystal data: (1) C26H20O2.2C2H3N, M(r)=446.54, a=8.530(2), b=16.995(6), c=9.034(1) angstrom, beta=109.15(2)-degrees, space group P2(1)/c, D(m)=1.18 g cm-3 , D(c)=1.20 g cm-3 for Z=2, R=0.096 for 1363 reflections; (2) C26H20O2.2C3H5NO, M(r)=506.60, a=8.444(1), b=9.7931(7), c=16.558(2) angstrom, beta=104.32(1)-degrees, space group P2(1)/n, D(m)=1.28 g cm-3, D(c)=1.27 g cm-3 for Z=2, R=0.066 for 1567 reflections. The thermal decomposition of (1) shows that the guest release reaction occurs in a single step, but that the activation energy varies with the extent of decomposition, from 83 to 114 kJ mol-1. DSC of (2) shows that decomposition is more complex, with possible phase changes of the host structure.