Wu Jun, Chen Lu-Sheng, Liu Qi-Kui, Guo Dian-Shun
Department of Chemistry, Shandong Normal University, Jinan 250014, People's Republic of China.
Acta Crystallogr Sect E Struct Rep Online. 2011 May 1;67(Pt 5):o1131-2. doi: 10.1107/S1600536811013250. Epub 2011 Apr 13.
The title compound, C(11)H(9)F(3)NO(+)·ClO(4) (-)·C(11)H(8)F(3)NO or [(C(11)H(8)F(3)NO)H(C(11)H(8)F(3)NO)]ClO(4), contains two 8-(2,2,2-trifluoro-eth--oxy)quinoline molecules, one of which combines a proton from perchloric acid to form the corresponding quinolinium cation. The quinolinium and quinoline rings form a cationic unit via an inter-molecular N-H⋯N hydrogen bond. The heterocyclic units are almost perpendicular to each other [inter-planar angle 86.97 (6)°]. In the crystal, each perchlorate anion bridges two adjacent cationic units and creates a chain by a combination of C-H⋯O hydrogen bonds. Two inversion-related chains associate into a mol-ecular column by π-π stacking inter-actions between the quinolinium rings. The perpendicular and centroid-centroid distances between adjacent quinolinium rings are 3.501 (3) and 3.634 (9) Å, respectively. The molecular column is linked to its neighbors, creating a two-dimensional network via the weak π-π stacking between the quinoline rings [perpendicular and centroid-centroid separations 3.340 (4) and 4.408 (4) Å, respectively]. Finally, a three-dimensional framework is formed by a combination of intermolecular C-F⋯π contacts. One -CF(3) group is disordered over two positions of equal occupancy.
标题化合物C(11)H(9)F(3)NO⁺·ClO₄⁻·C(11)H(8)F(3)NO或[(C(11)H(8)F(3)NO)H(C(11)H(8)F(3)NO)]ClO₄包含两个8-(2,2,2-三氟乙氧基)喹啉分子，其中一个与高氯酸中的一个质子结合形成相应的喹啉鎓阳离子。喹啉鎓环和喹啉环通过分子间N-H⋯N氢键形成一个阳离子单元。杂环单元几乎相互垂直[平面间夹角86.97 (6)°]。在晶体中，每个高氯酸根阴离子桥连两个相邻的阳离子单元，并通过C-H⋯O氢键的组合形成一条链。两条通过倒反相关的链通过喹啉鎓环之间的π-π堆积相互作用缔合形成一个分子柱。相邻喹啉鎓环之间的垂直距离和质心-质心距离分别为3.501 (3) Å和3.634 (9) Å。分子柱与其相邻分子相连，通过喹啉环之间的弱π-π堆积[垂直距离和质心-质心间距分别为3.340 (4) Å和4.408 (4) Å]形成二维网络。最后，通过分子间C-F⋯π接触的组合形成三维框架。一个-CF₃基团在两个占有率相等的位置上无序分布。
