Trilleras Jorge, Velásquez Kelly, Cobo Justo, Glidewell Christopher
Grupo de Investigación en Compuestos Heterocíclicos, Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Km 7 Antigua vía Puerto Colombia, Barranquilla, Colombia.
Acta Crystallogr C. 2013 Jun;69(Pt 6):671-3. doi: 10.1107/S0108270113013267. Epub 2013 May 17.
The title compound, C16H9FN2S, crystallizes as a nonmerohedral twin with twin rotation about the reciprocal-lattice vector [101]*. 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 R2(2)(18) dimers, which are linked into chains by an aromatic π-π stacking interaction. Comparisons are made with some related 3-aryl-2-thienylacrylonitriles.
标题化合物C16H9FN2S以非镜像孪晶形式结晶，围绕倒易晶格矢量[101]* 发生孪晶旋转。分子近乎平面，两个芳基环平面之间的二面角仅为4.4 (2)°。分子通过C-H···N氢键对连接形成环状中心对称的R2(2)(18)二聚体，这些二聚体通过芳香π-π堆积相互作用连接成链。与一些相关的3-芳基-2-噻吩基丙烯腈进行了比较。
