Figueira João, Vertlib Viatslav, Rodrigues João, Nättinen Kalle, Rissanen Kari
Acta Crystallogr Sect E Struct Rep Online. 2008 Mar 29;64(Pt 4):o765-6. doi: 10.1107/S1600536808008106.
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.
在固态中，标题化合物C₂₂H₁₀N₂S通过成对的非经典C-H⋯S氢键形成中心对称二聚体，这些氢键连接近似共面的分子。参与这种相互作用的苯环与噻吩环的二面角仅为7.21 (16)°，而另一个苯环则稍微扭曲出平面，二面角为39.58 (9)°。氢键连接的二聚体相互堆叠，平面间距为3.44 Å。C-H⋯N氢键将沿近似垂直方向排列的堆叠连接在一起。因此，每个分子与12个相邻分子相互作用，其中5个分子比相关原子的范德华半径之和更接近。堆叠间接触的优化导致了分子的非平面性。
