首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structures of 1-bromo-3,5-bis­(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis­(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodo­benzene
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Crystal structures of 1-bromo-3,5-bis­(4,4-dimethyl-1,3-oxazolin-2-yl)benzene 0.15-hydrate and 3,5-bis­(4,4-dimethyl-1,3-oxazolin-2-yl)-1-iodo­benzene

机译:1-溴-3,5-双(4,4-二甲基-1,3-恶唑啉-2-基)苯0.15水合物和3,5-双(4,4-二甲基-1,3-)的晶体结构恶唑啉-2-基)-1-碘苯

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摘要

The bromo and iodo derivatives of a meta-bis­(1,3-oxazolin-2-yl)-substituted benzene, C16H19BrN2O2·0.15H2O (1) and C16H19IN2O2 (2), have been prepared and studied in terms of their mol­ecular and crystal structures. While the former crystallizes as a sub-hydrate, with 0.15 formula units of water and shows an almost all-planar arrangement of the three ring systems, the latter crystallizes solvate-free with the flanking heterocycles twisted considerably with respect to the central arene. Non-covalent contacts include parallel-displaced π–π inter­actions and (non-classical) hydrogen bonding for both (1) and (2), as well as relatively short I⋯N contacts for (2).
机译:已经制备了间双-双(1,3-恶唑啉-2-基)取代的苯的溴代和碘代衍生物C16H19BrN2O2·0.15H2O(1)和C16H19IN2O2(2),并对其分子和晶体进行了研究。结构。前者以水合物形式结晶,水含量为0.15个公式单位,并且显示出三环系统几乎所有的平面排列,而后者则无溶剂化物,其侧翼杂环相对于中心芳烃有相当大的扭曲。非共价接触包括(1)和(2)的平行位移π-π相互作用和(非经典)氢键,以及(2)相对较短的I⋯N接触。

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