title: (E)-2-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)acrylonitrile: a chain of π-stacked hydrogen-bonded rings.
abstract: 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.
authors.affiliation: Grupo de Investigación en Compuestos Heterocíclicos, Programa de Química, Facultad de Ciencias Básicas, Universidad del Atlántico, Km 7 Antigua vía Puerto Colombia, Barranquilla, Colombia.
authors.forename: Jorge
authors.initials: J
authors.lastname: Trilleras
authors.forename: Kelly
authors.initials: K
authors.lastname: Velásquez
authors.forename: Justo
authors.initials: J
authors.lastname: Cobo
authors.forename: Christopher
authors.initials: C
authors.lastname: Glidewell
mesh_terms: D000181:Acrylonitrile / Q000031:analogs & derivatives* / Q000737:chemistry; D052160:Benzothiazoles / Q000737:chemistry*; D018360:Crystallography, X-Ray; D006860:Hydrogen Bonding; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D052160:Benzothiazoles; D000181:Acrylonitrile