4,4'-[Thio-phene-2,5-diylbis(ethyne-2,1-di-yl)]dibenzonitrile.

ABSTRACT: 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.

SUBMITTER: Figueira J 

PROVIDER: S-EPMC2961030 | biostudies-literature | 2008 Mar

REPOSITORIES: biostudies-literature