Wang Jin, Zhong Jun-Wen, Liu Pei-Lian, Cao Wan-Wan, Zeng Zhuo
Acta Crystallogr Sect E Struct Rep Online. 2011 Sep 1;67(Pt 9):o2399. doi: 10.1107/S1600536811033757. Epub 2011 Aug 27.
The asymmetric unit of the title compound, C(14)H(12)F(8)N(2), contains one tetra-fluoro-pyrrolidine system and one half-mol-ecule of benzene; the latter, together with a second heterocyclic unit, are completed by symmetry, with a twofold crystallographic axis crossing through both the middle of the bond between the C atoms bearing the heterocyclic rings and the opposite C-C bonds of the whole benzene mol-ecule. The pyrrolidine ring shows an envelope conformation with the apex at the N atom. The dihedral angle between the least-squares plane of this ring and the benzene ring is 36.9 (5)°. There are intra-molecular C-H⋯N inter-actions generating S(6) ring motifs. In the crystal structure, the mol-ecules are linked by C-H⋯F inter-actions, forming chains parallel to [010].
标题化合物C(14)H(12)F(8)N(2)的不对称单元包含一个四氟吡咯烷体系和半个苯分子；后者与第二个杂环单元通过对称操作形成完整分子，一个二次晶体学轴穿过带有杂环的碳原子之间的键的中点以及整个苯分子相对的C-C键。吡咯烷环呈信封式构象，顶点为N原子。该环的最小二乘平面与苯环之间的二面角为36.9 (5)°。存在分子内C-H⋯N相互作用，产生S(6)环模式。在晶体结构中，分子通过C-H⋯F相互作用相连，形成平行于[010]的链。
