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Substituent effect on the packing architecture of adamantane and memantine derivatives of sulfonamide molecular crystals†
CrystEngComm ( IF 3.1 ) Pub Date : 2019-12-03 , DOI: 10.1039/c9ce01750j Alexander P. Voronin 1, 2, 3, 4 , Tatyana V. Volkova 1, 2, 3, 4 , Andrey B. Ilyukhin 2, 4, 5, 6 , Alexey N. Proshin 2, 4, 7, 8 , German L. Perlovich 1, 2, 3, 4
CrystEngComm ( IF 3.1 ) Pub Date : 2019-12-03 , DOI: 10.1039/c9ce01750j Alexander P. Voronin 1, 2, 3, 4 , Tatyana V. Volkova 1, 2, 3, 4 , Andrey B. Ilyukhin 2, 4, 5, 6 , Alexey N. Proshin 2, 4, 7, 8 , German L. Perlovich 1, 2, 3, 4
Affiliation
A specific number of structures described in this paper with adamantane and memantine fragments have been synthesised and characterised. Their single crystals have been grown and their crystal structures have been determined. XPac analysis has shown that there are four sets of isostructural crystals based on adamantane/memantine-specific hydrogen bond patterns and packing of bulky substituents. The use of packing density analysis, QTAIMC and Hirshfeld surface analyses has allowed the elucidation of the influence of the nature and position of functional groups and molecular arrangement on the strength of non-covalent interactions in crystals and overall packing efficiency. The nature and size of a fragment in the para-position of the phenyl ring have been found to have the highest influence on the packing architecture.
中文翻译:
取代基对金刚烷和磺酰胺分子晶体的美金刚衍生物堆积结构的影响†
已经合成并表征了本文中描述的具有金刚烷和金刚烷片段的特定数量的结构。已经生长了它们的单晶并且已经确定了它们的晶体结构。XPac分析表明,根据金刚烷/金刚烷特定的氢键模式和庞大的取代基堆积,存在四组同构晶体。堆积密度分析,QTAIMC和Hirshfeld表面分析的使用可以阐明官能团的性质和位置以及分子排列对晶体中非共价相互作用强度和整体堆积效率的影响。段落中片段的性质和大小已经发现苯环的-位对堆积结构具有最大的影响。
更新日期:2020-01-15
中文翻译:
取代基对金刚烷和磺酰胺分子晶体的美金刚衍生物堆积结构的影响†
已经合成并表征了本文中描述的具有金刚烷和金刚烷片段的特定数量的结构。已经生长了它们的单晶并且已经确定了它们的晶体结构。XPac分析表明,根据金刚烷/金刚烷特定的氢键模式和庞大的取代基堆积,存在四组同构晶体。堆积密度分析,QTAIMC和Hirshfeld表面分析的使用可以阐明官能团的性质和位置以及分子排列对晶体中非共价相互作用强度和整体堆积效率的影响。段落中片段的性质和大小已经发现苯环的-位对堆积结构具有最大的影响。