engleski

Crystal Structure Study of the Chiral Spirodinaphthopyrans

Spiropyrans have been investigated largely because of their thermo- and photochromic behaviour and aplication in display and storage of information as well as solar energy conversion. Our interests in chiral 2H-chromenes were related to resultion of their enantiomers and determination of barriers to racemization. This study is conserned with structure determination of the novel diethyl and diphenyl derivatives. Crystal data (A): C_29H_22O_2 ; M_r = 402.47, ortorombic group Ccc2 (No. 37) ; a = 12.635(2), b = 19.761(2), c = 8.429(1) Ĺ, V = 2104.6(5) Ĺ^3 ; D_x = 1.270 g cm^-3 ; Z = 4 ; F(000) = 848 ; MoK_alpha radiation ; mi = 0.78 cm^-1 ; R = 0.047 ; R_w= 0.1288 ; 145 parameters, 1765 reflections with I more or equal 2 sigma(I) used in the refinement. Crystal data (B): C_37H_24O_2 ; M_r = 500.56, monoclinic group P2_1/a (No. 14) ; a = 12.981(2), b = 12.664(2), c = 16.009(2) Ĺ, beta=90.96(1)^o ; V = 2631.4(7) Ĺ^3 ; D_x = 1.264 g cm^-3 ; Z = 4 ; F(000) = 1048 ; MoK_alpha radiation ; mi = 0.77 cm^-1 ; R = 0.057 ; R_w= 0.1687 ; 354 parameters, 2802 reflections with I more or equal 2 sigma(I) used in the refinement.

Chiral Spirodinaphthopyrans

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