Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 7 (July 2007)

organic compounds

dn3048 scheme

Acta Cryst. (2007). C63, o400-o404 [ doi:10.1107/S0108270107024699 ]

Flip-type disorder in 3-substituted 2,2':5',2''-terthiophenes

P. Wagner, D. L. Officer and M. Kubicki

Abstract: In the crystal structures of four thiophene derivatives, (E)-3'-[2-(anthracen-9-yl)ethenyl]-2,2':5',2''-terthiophene, C₂₈H₁₈S₃, (E)-3'-[2-(1-pyrenyl)ethenyl]-2,2':5',2''-terthiophene, C₃₀H₁₈S₃, (E)-3'-[2-(3,4-dimethoxyphenyl)ethenyl]-2,2':5',2''-terthiophene, C₂₂H₁₈O₂S₃, and (E,E)-1,4-bis[2-(2,2':5',2''-terthiophen-3'-yl)ethenyl]-2,5-dimethoxybenzene, C₃₆H₂₆O₂S₆, at least one of the terminal thiophene rings is disordered and the disorder is of the flip type. The terthiophene fragments are far from being coplanar, contrary to terthiophene itself. The central C-C=C-C fragments are almost planar but the bond lengths suggest slight delocalization within this fragment. The crystal packing is determined by van der Waals interactions and some weak, relatively short, C-HS and C-H [pi] directional contacts.

Formula: C₂₈H₁₈S₃, C₃₀H₁₈S₃, C₂₂H₁₈O₂S₃ and C₃₆H₂₆O₂S₆


	Structure factor file (CIF format) (184.0 kbytes) [ doi:10.1107/S0108270107024699/dn3048Isup2.hkl ] Contains datablock I

	Structure factor file (CIF format) (189.1 kbytes) [ doi:10.1107/S0108270107024699/dn3048IIsup3.hkl ] Contains datablock II

	Structure factor file (CIF format) (326.7 kbytes) [ doi:10.1107/S0108270107024699/dn3048IIIsup4.hkl ] Contains datablock III

	Structure factor file (CIF format) (263.8 kbytes) [ doi:10.1107/S0108270107024699/dn3048IVsup5.hkl ] Contains datablock IV

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