Acta Crystallographica Section C

Crystal Structure Communications

Volume 63, Part 12 (December 2007)


organic compounds



hj3056 scheme

Acta Cryst. (2007). C63, o743-o745    [ doi:10.1107/S0108270107054959 ]

(E)-3-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxyphenyl)acrylonitrile and (Z)-3-(benzo[b]thiophen-2-yl)-2-(3,4-dimethoxyphenyl)acrylonitrile

V. N. Sonar, S. Parkin and P. A. Crooks

Abstract: The title compounds, C20H17NO3S, (I), and C19H15NO2S, (II), were prepared by the reaction of benzo[b]thiophene-2-carbaldehyde with (3,4,5-trimethoxyphenyl)acetonitrile and (3,4-dimethoxyphenyl)acetonitrile, respectively, in the presence of methanolic potassium hydroxide. In (I), the C=C bond linking the benzo[b]thiophene and the 3,4,5-trimethoxyphenyl units has E geometry, with dihedral angles between the plane of the bridging unit and the planes of the two adjacent ring systems of 5.2 (3) and 13.1 (2)°, respectively. However, in (II), the C=C bond has Z geometry, with dihedral angles between the plane of the bridging unit and the planes of the adjacent benzo[b]thiophene and 3,4-dimethoxyphenyl units of 4.84 (17) and 76.09 (7)°, respectively. There are no significant intermolecular hydrogen-bonding interactions in the packing of (I) and (II). The packing is essentially stabilized via van der Waals forces.

Formula: C20H17NO3S and C19H15NO2S


hkldisplay filedownload file

Structure factor file (CIF format) (190.9 kbytes)
[ doi:10.1107/S0108270107054959/hj3056Isup2.hkl ]
Contains datablock I


hkldisplay filedownload file

Structure factor file (CIF format) (173.0 kbytes)
[ doi:10.1107/S0108270107054959/hj3056IIsup3.hkl ]
Contains datablock II


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