Gomes Clara S B, Figueira Cláudia A, Gomes Pedro T, Duarte M Teresa
Centro de Química Estrutural, Departamento de Engenharia Química e Biológica, Instituto Superior Técnico, Avenida Rovisco Pais, 1049-001 Lisboa, Portugal.
Acta Crystallogr C. 2008 Jun;64(Pt 6):o303-5. doi: 10.1107/S0108270108011360. Epub 2008 May 6.
In the title compound, C10H11N, the molecules assemble as pseudo-dimers through pi-pi interactions, each dimer being rotated by about 90 degrees with respect to its neighbours. The relative positioning of the dimers and C-H...pi interactions give, when seen along a, a supramolecular zigzag arrangement. The compound contains a planar pyrroline ring and, as a whole, its molecular conformation is also planar, which represents the first example of a totally planar 2-substituted 1-pyrroline and the simplest ever reported by X-ray diffraction.
在标题化合物C₁₀H₁₁N中，分子通过π-π相互作用组装成准二聚体，每个二聚体相对于其相邻二聚体旋转约90度。当沿着a轴观察时，二聚体的相对位置和C-H…π相互作用产生了一种超分子锯齿状排列。该化合物包含一个平面吡咯啉环，并且总体而言，其分子构象也是平面的，这代表了完全平面的2-取代-1-吡咯啉的第一个例子，也是通过X射线衍射报道过的最简单的例子。
