Crystal Structure and Desolvation Kinetics of a Methanol Inclusion Compound of trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene

Abstract

The host trans-9,10-dihydroxy-9,10-di-p-tert-butylphenyl-9,10-dihydroanthracene (DDTBDA) forms a 1:1 inclusion compound with methanol. The crystal structure, thermal analysis and kinetics of desolvation, using isothermal thermogravimetry is described. Space group: P 1, a = 10.036 (3)Å, b = 12.174 (2), c = 13.294 (4) Å, α = 69.86 (2)°, β = 70.20 (2)°, γ = 79.09 (2)°, Z = 2, V = 1430.0 (6)³, D_c = 1.181 g cm⁻³, number of reflections observed with l _rel2σ l _rel = 2850, R1(l _rel 2σl _rel) = 0.0482. The extent of reaction, α vs. time curves were deceleratory and were best described by the F1 reaction mechanism. An activation energy of 81(8) kJ·mol⁻¹ was obtained.

Key Words:

• Inclusion compound
• desolvation
• kinetics
• structure
• activation energy