End-capped Thiophene Modulated Molecular Packing in 2,8-Dibenzothiophene-based Materials：from Face-to-face to Edge-to-face Stacking

Two new organic crystals of 2,8-bisthienyldibenzothiophene(BTDT) and 2,8-bis-dithienyldibenzothiophene(BDTDT) compounds were successfully obtained.The change of end-capped group from thiophene to dithiophene causes big differences in molecular packing and carrier-transport property.The adjacent molecules of compound BTDT adopt face-to-face π stacking and exhibit two-dimensional interchain interactions.On the contrary,BDTDT molecules are arranged in an edge-to-face motif and show mainly one-dimensional interacting character.The packing mode exerts dramatic effect on the carrier-transport property.The crystal of BTDT belongs to the orthorhombic system,space group P21212 with a = 20.1427(11),b = 4.6016(3),c = 8.6340(5) ,V = 800.27(8) 3,Z = 2,Dc = 1.446 g/cm3,F(000) = 360,S = 1.019,the final R = 0.0491 and wR = 0.0960 for 1605 reflections with I > 2σ(I).The crystal of BDTDT belongs to the orthorhombic system,space group P212121 with a = 7.2636(15),b = 25.359(5),c = 25.359 ?,V = 4670.9(14) ?3,Z = 8,Dc = 1.458 g/cm3,F(000) = 2112,S = 0.880,the final R = 0.0597 and wR = 0.1318 for 8047 reflections with I > 2σ(I).