Loading...
Publication
4,4′-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile
| Name: | Description: | Size: | Format: | |
|---|---|---|---|---|
| 421.43 KB | Adobe PDF |
Advisor(s)
Abstract(s)
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.
Description
Keywords
4,4000-[Thiophene-2,5-diylbis(ethyne-2,1diyl)]dibenzonitrile . Faculdade de Ciências Exatas e da Engenharia
Citation
Figueira J., Rodrigues J., Vertlib V., Nättinen 2008, K., Rissanen K.; 4,4'-[Thiophene-2,5-diylbis(ethyne-2,1-diyl)]dibenzonitrile; Acta Cryst.; E64; o765-o766; 2008; (IF: 0.508) Open Access doi:10.1107/S1600536808008106
Publisher
International Union of Crystallography