4,4′-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile

• Autor(a) principal: Figueira, João
• Data de Publicação: 2008
• Outros Autores: Vertlib, Viatslav, Rodrigues, João, Nättinen, Kalle, Rissanen, Kari
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)
• Texto Completo: http://hdl.handle.net/10400.13/2394
• topic: 4,4000-[Thiophene-2,5-diylbis(ethyne-2,1diyl)]dibenzonitrile; .; Faculdade de Ciências Exatas e da Engenharia

In the solid state, the title compound, C(22)H(10)N(2)S, forms centrosymmetric dimers by pairs of non-classical C-H⋯S hydrogen bonds linking approximately coplanar mol-ecules. The benzene ring involved in this inter-action makes a dihedral angle of only 7.21 (16)° with the thio-phene ring, while the other benzene ring is twisted somewhat out of the plane, with a dihedral angle of 39.58 (9)°. The hydrogen-bonded dimers stack on top of each other with an inter-planar spacing of 3.44 Å. C-H⋯N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each mol-ecule thus inter-acts with 12 adjacent mol-ecules, five of them approaching closer than the sum of the van der Waals radii for the relevant atoms. Optimization of the inter-stack contacts contributes to the non-planarity of the mol-ecule.