首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of dimethyl 5-iodo­iso­phthal­ate and dimethyl 5-ethynyl­iso­phthal­ate
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Crystal structures of dimethyl 5-iodo­iso­phthal­ate and dimethyl 5-ethynyl­iso­phthal­ate

机译:5-碘间苯二甲酸二甲酯和5-乙炔基间苯二甲酸二甲酯的晶体结构

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In dimethyl 5-iodo­isophthalate, C10H9IO4, (I), the planes through the methyl carboxyl­ate moieties are tilted with respect to the benzene ring, whereas the mol­ecular framework of dimethyl 5-ethynylisophthalate, C12H10O4, (II), is perfectly planar. The crystal structure of (I) is stabilized by a three-dimensional supra­molecular network comprising C—H⋯O=C hydrogen bonds, as well as I⋯O=C inter­actions. In the crystal of (II), the mol­ecules are connected via C—Hethyn­yl⋯O=C hydrogen bonds to infinite strands. Moreover, π–π arene stacking inter­actions connect the mol­ecular chains into two-dimensional supra­molecular aggregates.
机译:在5-碘间苯二甲酸二甲酯C10H9IO4(I)中,穿过甲基羧酸酯部分的平面相对于苯环倾斜,而5-乙炔基间苯二甲酸二甲酯C12H10O4(II)的分子框架是完全平面的。 (I)的晶体结构通过包含CH = O = C氢键以及I = O = C相互作用的三维超分子网络来稳定。在(II)的晶体中,分子通过C-乙炔基= O = C氢键连接至无限链。此外,π-π芳烃的堆积相互作用将分子链连接成二维超分子聚集体。

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