Kavitha Channappa N, Kaur Manpreet, Jasinski Jerry P, Yathirajan H S
Department of Studies in Chemistry, University of Mysore, Manasagangotri, Mysore 570 006, India.
Department of Chemistry, Keene State College, 229 Main Street, Keene, NH 03435-2001, USA.
Acta Crystallogr Sect E Struct Rep Online. 2014 May 17;70(Pt 6):o681-2. doi: 10.1107/S1600536814010423. eCollection 2014 Jun 1.
In the cation of the title salt {systematic name: 4-[bis-(4-fluoro-phen-yl)meth-yl]-1-[(2E)-3-phenyl-prop-2-en-1-yl]piperazin-1-ium pyridine-4-carboxyl-ate}, C26H27F2N2 (+)·C6H4NO2 (-), the piperazine ring is in a slightly distorted chair conformation. The dihedral angle between the mean planes of the fluoro-substituted benzene rings is 81.9 (1)° and these benzene rings form dihedral angles of 6.5 (1) and 87.8 (1)° with the phenyl ring. In the crystal, a single N-H⋯O hydrogen bond links the cation and the anion. In addition, weak C-H⋯O hydrogen bonds and π-π stacking inter-actions involving one of the fluoro-substituted benzene rings and the phenyl ring, with a centroid-centroid distance of 3.700 (7) Å, link mol-ecules along [100].
在标题盐{系统命名：4-[双-(4-氟苯基)甲基]-1-[(2E)-3-苯基丙-2-烯-1-基]哌嗪-1-鎓吡啶-4-羧酸盐}，即C26H27F2N2(+)·C6H4NO2(-)中，哌嗪环呈略微扭曲的椅式构象。氟取代苯环平均平面之间的二面角为81.9 (1)°，这些苯环与苯环形成的二面角分别为6.5 (1)°和87.8 (1)°。在晶体中，一个单一的N-H⋯O氢键连接阳离子和阴离子。此外，弱的C-H⋯O氢键以及涉及一个氟取代苯环和苯环的π-π堆积相互作用（质心-质心距离为3.700 (7) Å），沿着[100]方向连接分子。
