2,3,5-三苯基-2H-四唑-3-碘化物
2,3,5-Triphenyl-2H-tetra-zol-3-ium iodide.
作者信息
Fun Hoong-Kun, Chia Tze Shyang, Mostafa Gamal A E, Abunassif Mohamed M, Abdel-Aziz Hatem A
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2012 Sep 1;68(Pt 9):o2621. doi: 10.1107/S1600536812033661. Epub 2012 Aug 1.
The asymmetric unit of the title mol-ecular salt, C(19)H(15)N(4) (+)·I(-), contains four 2,3,5-triphenyl-2H-tetra-zol-3-ium cations and five iodide anions, with two of the latter lying on crystallographic inversion centres. In each cation, the tetra-zole ring is essentially planar (r.m.s. deviations = 0.004-0.007 Å). The dihedral angles between the tetra-zole ring and its three attached benzene rings in the four independent cations are: 12.9 (4), 67.0 (4), 48.1 (4); 20.8 (4), 51.1 (4), 62.3 (4); 11.4 (4), 52.3 (4), 47.3 (4) and 6.0 (4), 85.7 (4), 43.5 (4)°. A C-H⋯I hydrogen bond and C-H⋯π inter-actions are observed in the crystal.
标题分子盐C(19)H(15)N(4)(+)·I(-)的不对称单元包含四个2,3,5-三苯基-2H-四唑-3-鎓阳离子和五个碘离子，其中两个碘离子位于晶体学反演中心上。在每个阳离子中，四唑环基本呈平面状（均方根偏差 = 0.004 - 0.007 Å）。四个独立阳离子中四唑环与其三个相连苯环之间的二面角分别为：12.9 (4)、67.0 (4)、48.1 (4)°；20.8 (4)、51.1 (4)、62.3 (4)°；11.4 (4)、52.3 (4)、47.3 (4)° 和 6.0 (4)、85.7 (4)、43.5 (4)°。在晶体中观察到C-H⋯I氢键和C-H⋯π相互作用。
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