Solid-state and inclusion properties of hydrogen-bonded 1,3-cyclohexanedione cyclamers
Solid-state and inclusion properties of hydrogen-bonded 1,3-cyclohexanedione cyclamers
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氢键1,3-环己二酮环聚合物的固态和包合物性质
DOI：
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发表时间：
1990
期刊：
影响因子：
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通讯作者：
D. Britton
中科院分区：
文献类型：
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作者：
M. C. Etter;Diana L. Parker;S. R. Ruberu;Thomas W. Panunto;D. Britton
在结晶过程中，1,3-环己二酮根据溶剂条件自行组装成氢键链或六聚环。六聚环，称为仙客轮，是本文的主题。这些不寻常的结构使苯成为客体分子。本文通过晶体生长研究、x射线粉末模式和热分析，探讨了这些主客体化合物的结构和晶体化学性质。报道了5-甲基-1,3-环己二酮苯环聚物的晶体结构(六方晶，a =b = 19.19(2)Å，c = 10.545(9)Å，R3,Z = 18,V = 3362(6)Å3；717个独特反射，R = 0.062)。本文还讨论了环向性的立体化学意义。
During crystallization 1,3-cyclohexanedione self assembles into either hydrogen-bonded chains or hexameric rings depending on the solvent conditions. The hexameric rings, called cyclamers, are the subject of this paper. These unusual structures occlude benzene as a guest molecule. The structural and crystal chemical properties of these host-guest compounds are explored here with the use of crystal growth studies, X-ray powder patterns, and thermal analysis. The crystal structure of the benzene cyclamer of 5-methyl-1,3-cyclohexanedione is reported (hexagonal,a =b = 19.19(2)Å,c = 10.545(9)Å,R3,Z = 18,V = 3362(6)Å3; 717 unique reflections,R = 0.062). An analysis of the stereochemical implications of cyclic directionality in these cyclamers is also discussed.