1-[(1-甲基-5-硝基-1H-咪唑-2-基)甲基]碘化吡啶的晶体结构
Crystal structure of 1-[(1-methyl-5-nitro-1H-imidazol-2-yl)meth-yl]pyridinium iodide.
作者信息
Belguedj Roumaissa, Bouraiou Abdelmalek, Merazig Hocine, Belfaitah Ali, Bouacida Sofiane
机构信息
Unité de Recherche de Chimie de l'Environnement et Moléculaire Structurale, CHEMS, Université Constantine1, 25000 , Algeria.
Equipe de Synthèse de Molécules à Objectif Thérapeutique, Laboratoire des Produits Naturels d'Origine Végétale et de Synthèse Organique, Université Constantine 1, Constantine 25000, Algeria.
出版信息
Acta Crystallogr E Crystallogr Commun. 2015 Jan 28;71(Pt 2):o133-4. doi: 10.1107/S2056989015001541. eCollection 2015 Feb 1.
In the title salt, C10H11N4O2 (+)·I(-), the asymmetric unit consists of a pyridinium cation bearning a (1-methyl-5-nitro-1H-imidazol-2-yl)methyl group at the N position and an iodide anion. The imidazole ring is quasiplanar, with a maxiumum deviation of 0.0032 (16) Å, and forms a dihedral angle of 67.39 (6)° with the plane of the pyridinium ring. The crystal packing can be described as alternating zigzag layers of cations parallel to the (001) plane, which are sandwiched by the iodide ions. The structure features two types of hydrogen bonds (C-H⋯O and C-H⋯I), viz. cation-anion and cation-cation, which lead to the form ation of a three-dimensional network.
在标题盐C₁₀H₁₁N₄O₂⁺·I⁻中，不对称单元由一个在N位带有(1-甲基-5-硝基-1H-咪唑-2-基)甲基的吡啶鎓阳离子和一个碘化物阴离子组成。咪唑环近乎平面，最大偏差为0.0032 (16) Å，与吡啶鎓环平面形成67.39 (6)°的二面角。晶体堆积可描述为平行于(001)平面的阳离子交替锯齿状层，这些层被碘离子夹在中间。该结构具有两种类型的氢键（C-H⋯O和C-H⋯I），即阳离子-阴离子和阳离子-阳离子氢键，这导致形成三维网络。
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