(E)‐2‐(1, 3‐Benzothiazol‐2‐yl)‐3‐(4‐fluorophenyl)acrylonitrile: a chain of π‐stacked hydrogen‐bonded rings. (16th May 2013)

• Record Type: Journal Article
• Authors: Trilleras, Jorge; Velásquez, Kelly; Cobo, Justo; Glidewell, Christopher
• Is Part Of: Acta crystallographica. Volume 69:Part 6(2013:Jun.)
• Page Start: 671
• Page End: 673
• Publication Date: 2013-05-16
• Subjects: Crystallography -- Periodicals; Crystals -- Periodicals; 548.05
• DOI: 10.1107/S0108270113013267
• Languages: English
• ISSNs: 0108-2701

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>The title compound, C₁₆H₉FN₂S, crystallizes as a nonmerohedral twin with twin rotation about the reciprocal‐lattice vector [10<inline-graphic xlink:href="ark:/27927/pgg3hbw8kvz" mimetype="image" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" />]*. 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 <italic>R</italic>₂²(18) dimers, which are linked into chains by an aromatic π–π stacking interaction. Comparisons are made with some related 3‐aryl‐2‐thienylacrylonitriles.</p> </abstract>