两个独立衍生物的晶体结构和层次复杂度

IF 1.4 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR
A. M. Banaru, V. E. Kireev, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboinikov, S. M. Aksenov
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引用次数: 0

摘要

用单晶x射线衍射分析了6-叔丁基-5-甲氧基-2-甲基-4-苯基-2,3-二氢- 1h -茚(1)和5-叔丁基-6-甲氧基-2-甲基-7-(4-叔丁基苯基)- 1h -茚(2)。讨论了分子的构象结构和振动谱的低频区,晶体结构的拓扑结构和层次复杂性。这两种结构都没有明显的特定分子间相互作用。同时,非常弱的氢键显著影响了分子间接触的拓扑结构,与2相比,1的结构比2的结构更复杂,这可以在1的分子代表取代茚酮的结构中区分出来。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

Crystal Structure and Hierarchical Complexity of Two Indene Derivatives

6-Tert-butyl-5-methoxy-2-methyl-4-phenyl-2,3-dihydro-1H-inden-1-one (1) and 5-tert-butyl-6-methoxy-2-methyl-7-(4-tert-butylphenyl)-1H-indene (2) are analyzed by single crystal X-ray diffraction. The conformational structure and low-frequency region of the vibrational spectrum of molecules, the topology and hierarchical complexity of crystal structures are discussed. Both structures do not have pronounced specific intermolecular interactions. At the same time, very weak H-bonds significantly affecting the topology of intermolecular contacts and enhancing the hierarchical complexity of the structure of 1 as compared to 2 can be distinguished in the structure of 1 whose molecule represents substituted indanone.

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来源期刊
Journal of Structural Chemistry
Journal of Structural Chemistry 化学-无机化学与核化学
CiteScore
1.60
自引率
12.50%
发文量
142
审稿时长
8.3 months
期刊介绍: Journal is an interdisciplinary publication covering all aspects of structural chemistry, including the theory of molecular structure and chemical bond; the use of physical methods to study the electronic and spatial structure of chemical species; structural features of liquids, solutions, surfaces, supramolecular systems, nano- and solid materials; and the crystal structure of solids.
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