Crystal structure of 1-(2-ethyl-3-benzothienyi)-2-[2-n-pentyl-5-(2,2- dicyanovinyl)-3-thienyi]perfluorocyclopentene, C28H22F6N2S2

Abstract

Source of materialThe title compound was synthesized in 75.02 % yield by the method [1,2] originally derived from 5-n-pentyl-thiophen-2-carbaldehyde and benzothiophene. Crystals suitable for X-ray analysis were grown from a solution (diethyl ether/hexane, 1:2) by slow evaporation at room temperature (m.p. 408.2 -408.7 K). Chemical analysis -found: C, 59.60 %; H, 3.89 %; N, 4.98 %; calculated for C28H22F6N2S2: C, 59.56 %; H, 3.93 %; N, 4.96 %. *H NMR, 13 C NMR and IR data are available in the CIF. Experimental detailsAll H atoms attached to C were fixed geometrically and treated as riding with d(C-H) = 0.96 Â (methyl) or 0.93 Â (aromatic) with i/iso(H) = 1.2 (/eq(aromatic) or C/ iso (H) = 1.5 E/eq(methyl).