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

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dc.contributor.author Figueira, João
dc.contributor.author Vertlib, Viatslav
dc.contributor.author Rodriques, João
dc.contributor.author Nättinen, Kalle
dc.contributor.author Rissanen, Kari
dc.date.accessioned 2011-02-22T07:55:41Z
dc.date.available 2011-02-22T07:55:41Z
dc.date.issued 2008
dc.identifier.citation Figueira, J., Vertlib, V., Rodrigues, J., Nattinen, K. & Rissanen, K. (2008). 4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile. Acta Crystallographica E, Vol. 64, Issue 4, p. o765-o766. doi:10.1107/S1600536808008106.
dc.identifier.issn 1600-5368
dc.identifier.uri http://hdl.handle.net/123456789/26576
dc.description.abstract In the solid state, the title compound, C₂₂H₁₀N₂S, forms centrosymmetric dimers by pairs of non-classical C-H...S hydrogen bonds linking approximately coplanar molecules. The benzene ring involved in this interaction makes a dihedral angle of only 7.21 (16)° with the thiophene 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 interplanar spacing of 3.44 Å. C-H...N hydrogen bonds link together stacks that run in approximately perpendicular directions. Each molecule thus interacts with 12 adjacent molecules, 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 molecule. en
dc.language.iso eng
dc.publisher International Union of Crystallography
dc.relation.ispartofseries Acta Crystallographica Section E
dc.title 4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile
dc.type Article en
dc.identifier.urn URN:NBN:fi:jyu-201102221795
dc.subject.kota 116
dc.contributor.laitos Kemian laitos fi
dc.contributor.laitos Department of Chemistry en
dc.contributor.oppiaine Organic chemistry en
dc.contributor.oppiaine Orgaaninen kemia fi
dc.type.uri http://purl.org/eprint/type/JournalArticle
dc.identifier.doi doi:10.1107/S1600536808008106
dc.description.version Publisher's PDF
eprint.status http://purl.org/eprint/type/status/PeerReviewed

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