2-甲基-5-硝基-1H-苯并咪唑一水合物
2-Methyl-5-nitro-1H-benzimidazole monohydrate.
作者信息
Ghalib Raza Murad, Hashim Rokiah, Sulaiman Othman, Quah Ching Kheng, Fun Hoong-Kun
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2011 Jun 1;67(Pt 6):o1523-4. doi: 10.1107/S1600536811019027. Epub 2011 May 25.
In the title compound, C(8)H(7)N(3)O(2)·H(2)O, the 2-methyl-5-nitro-1H-benzimidazole mol-ecule, excluding the methyl H atoms, is approximately planar, with a maximum deviation of 0.137 (1) Å. The crystal structure is stabilized by water mol-ecules via N-H⋯O(water), O(water)-H⋯O and O(water)-H⋯N hydrogen bonds, forming sheets parallel to the (100) plane. A short inter-molecular contact between the benzene and imidazole rings, with a centroid-centroid distance of 3.6419 (10) Å, indicates a π-π inter-action.
在标题化合物C₈H₇N₃O₂·H₂O中，2-甲基-5-硝基-1H-苯并咪唑分子（不包括甲基氢原子）近似呈平面状，最大偏差为0.137 (1) Å。晶体结构通过水分子经由N-H⋯O(水)、O(水)-H⋯O和O(水)-H⋯N氢键得以稳定，形成平行于(100)平面的片层。苯环和咪唑环之间存在短的分子间接触，质心间距为3.6419 (10) Å，表明存在π-π相互作用。
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