Acta Crystallographica Section C

Crystal Structure Communications

Volume 69, Part 6 (June 2013)


organic compounds



sk3489 scheme

Acta Cryst. (2013). C69, 671-673    [ doi:10.1107/S0108270113013267 ]

(E)-2-(1,3-Benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of [pi]-stacked hydrogen-bonded rings

J. Trilleras, K. Velásquez, J. Cobo and C. Glidewell

Abstract: The title compound, C16H9FN2S, crystallizes as a nonmerohedral twin with twin rotation about the reciprocal-lattice vector [10\overline{1}]*. The molecules are nearly planar and the dihedral angle between the planes of the two aryl rings is only 4.4 (2)°. The molecules are linked by pairs of C-H...N hydrogen bonds to form cyclic centrosymmetric R22(18) dimers, which are linked into chains by an aromatic [pi]-[pi] stacking interaction. Comparisons are made with some related 3-aryl-2-thienylacrylonitriles.

Formula: C16H9FN2S


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[ doi:10.1107/S0108270113013267/sk3489Isup3.cml ]
Supplementary material


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