Fun Hoong-Kun, Chanawanno Kullapa, Chantrapromma Suchada
Acta Crystallogr Sect E Struct Rep Online. 2009 May 29;65(Pt 6):o1406-7. doi: 10.1107/S1600536809019114.
In the title compound, C(18)H(16)N(+)·I(-), the cation is disordered over two orientations related by a 180° rotation about its long axis with occupancies of 0.554 (7) and 0.446 (7). Both disorder components exist in an E configuration. The dihedral angle between the pyridinium ring and the naphthalene ring system is 4.7 (6)° in the major disorder component and 1.6 (8)° in the minor component. In the crystal structure, centrosymmetrically related cations are stacked along the a axis, with significant π-π inter-actions between the pyridinium ring and the naphthalene ring system [centroid-centroid distance = 3.442 (9) Å]. The iodide ions are located between adjacent columns of cations. The cations are linked to the iodide ions by C-H⋯I inter-actions. Weak C-H⋯π inter-actions involving the methyl group are also observed.
在标题化合物C(18)H(16)N⁺·I⁻中，阳离子在两个通过绕其长轴180°旋转相关的取向上无序，占有率分别为0.554(7)和0.446(7)。两个无序组分均以E构型存在。在主要无序组分中，吡啶鎓环与萘环体系之间的二面角为4.7(6)°，在次要组分中为1.6(8)°。在晶体结构中，中心对称相关的阳离子沿a轴堆积，吡啶鎓环与萘环体系之间存在显著的π-π相互作用[质心-质心距离 = 3.442(9) Å]。碘离子位于相邻阳离子柱之间。阳离子通过C-H⋯I相互作用与碘离子相连。还观察到涉及甲基的弱C-H⋯π相互作用。
