Haque Rosenani A, Ghdhayeb Mohammed Z, Abdallah Hassan H, Quah Ching Kheng, Fun Hoong-Kun
Acta Crystallogr Sect E Struct Rep Online. 2010 Dec 11;67(Pt 1):o80-1. doi: 10.1107/S1600536810050683.
In the title compound, C(20)H(24)N(4) (2+)·2PF(6) (-), the ethene and 3-allyl-imidazolium moieties of the cation are disordered over two positions with refined site occupancies of 0.664 (19):0.336 (19) and 0.784 (7):0.216 (7), respectively, whereas four F atoms of one hexa-fluoridophosphate anion and all atoms in the other hexa-fluoridophosphate anion are disordered over two positions with refined site occupancies of 0.764 (5):0.2365) and 0.847 (9):0.153 (9), respectively. The benzene ring is inclined at angles of 78.2 (3), 81.3 (4) and 73.9 (12)° with the 1H-imidazol-3-ium ring and the major and minor components of the disordered 1H-imidazol-3-ium ring, respectively. In the crystal, the hexa-fluoridophosphate anions link the cations into two-dimensional networks parallel to (001) via inter-molecular C-H⋯F hydrogen bonds. The crystal structure is further consolidated by π-π [centroid-centroid distance = 3.672 (3) Å] and C-H⋯π inter-actions.
在标题化合物C(20)H(24)N(4)(2+)·2PF(6)(-)中，阳离子的乙烯基和3-烯丙基-咪唑鎓部分在两个位置上无序，其精修的位点占有率分别为0.664 (19):0.336 (19)和0.784 (7):0.216 (7)，而一个六氟磷酸根阴离子的四个F原子和另一个六氟磷酸根阴离子中的所有原子在两个位置上无序，其精修的位点占有率分别为0.764 (5):0.236 (5)和0.847 (9):0.153 (9)。苯环与1H-咪唑-3-鎓环以及无序的1H-咪唑-3-鎓环的主要和次要组分分别呈78.2 (3)°、81.3 (4)°和73.9 (12)°的倾斜角。在晶体中，六氟磷酸根阴离子通过分子间C-H⋯F氢键将阳离子连接成平行于(001)的二维网络。晶体结构通过π-π[质心-质心距离 = 3.672 (3) Å]和C-H⋯π相互作用进一步巩固。
