1,2,4,5-四氟-3,6-二碘苯-4-(吡啶-4-基硫烷基)吡啶(1/1)
1,2,4,5-Tetra-fluoro-3,6-diiodo-benzene-4-(pyridin-4-ylsulfan-yl)pyridine (1/1).
作者信息
Arman Hadi D, Kaulgud Trupta, Tiekink Edward R T
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2683. doi: 10.1107/S1600536810038316.
The asymmetric unit of the title 1:1 adduct, C(10)H(8)N(2)S·C(6)F(4)I(2), comprises a half-mol-ecule of 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene, and half a 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule. The former is completed by crystallographic inversion symmetry, the latter by twofold symmetry, with the S atom lying on the rotation axis. The almost planar 1,2,4,5-tetra-fluoro-3,6-diiodo-benzene mol-ecule (r.m.s. deviation of all 12 atoms = 0.016 Å) and twisted 4-(pyridin-4-ylsulfan-yl)pyridine mol-ecule [dihedral angle between pyridyl rings = 54.88 (13)°] are connected by N⋯I inter-actions [2.838 (4) Å], generating a supra-molecular chain with a step-ladder topology. These chains are connected in the crystal by C-H⋯F and C-H⋯π(pyrid-yl) inter-actions.
标题为1:1加合物C(10)H(8)N(2)S·C(6)F(4)I(2)的不对称单元包含半个1,2,4,5-四氟-3,6-二碘苯分子和半个4-(吡啶-4-基硫烷基)吡啶分子。前者通过晶体学反演对称性形成完整分子，后者通过二重对称性形成完整分子，硫原子位于旋转轴上。近乎平面的1,2,4,5-四氟-3,6-二碘苯分子（所有12个原子的均方根偏差 = 0.016 Å）和扭曲的4-(吡啶-4-基硫烷基)吡啶分子[吡啶环之间的二面角 = 54.88 (13)°]通过N⋯I相互作用[2.838 (4) Å]相连，形成具有阶梯拓扑结构的超分子链。这些链在晶体中通过C-H⋯F和C-H⋯π(吡啶基)相互作用相连。
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