engleski

Crystal Structure Study of the Novel Trifluoromethyl-substituted Dibenzosemibullvalene

Dibenzosemibarrelenes (dibenzobycyclo/2.2.2/octa-2, 5, 7-triene), and particulary dibenzosemibullvalenes (dibenzotricyclo/3.3.0.0.^2.8/octa-3, 6-diene), have been discovered to exert pharmacological effects on the central nervous system as antidepressive agents. In connection to our previous studies on regiospecifically trifluoromethyl substituted dibenzobarrelene and dibenzosemibullvalene we have studied crystal structure of the (+/-) 1-phenyl-2, 5- bis(trifluoromethyl)dibenzotricyclo/3.3.0.0.^2.8/octa-3, 6-diene. Crystal data: C_24H_14F_6, M_r = 416.35, monoclinic group C2/c (No. 15) ; a = 31.084(8), b = 9.740(3), c = 25.069(7) Ĺ, beta = 101.66(2)^o ; V = 7593(4) Ĺ^3 ; D_x = 1.457 g cm^-3 ; Z = 16 ; F(000) = 3392 ; MoK_alpha radiation ; mi = 1.25 cm^-1 ; R = 0.0536 ; R_w= 0.1523 ; 544 parameters, 2517 reflections with I more or equal 2 sigma(I) used in the refinement.

dibenzosemibarrelene ; dibenzosemibullvalenes

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