两种新茚衍生物的晶体结构和拓扑特征

IF 1.2 4区 化学 Q4 CHEMISTRY, INORGANIC & NUCLEAR Journal of Structural Chemistry Pub Date : 2024-11-11 DOI:10.1134/S0022476624100135
V. E. Kireev, A. M. Banaru, V. A. Bataev, D. S. Kononovich, A. Z. Voskoboynikov, S. M. Aksenov
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引用次数: 0

摘要

通过单晶 X 射线衍射分析了 7-溴-5-(叔丁基)-2-苯基-1H-茚(1)和 6,7-二溴-2,4-二甲基-2,3-二氢-1H-茚-1-酮(2)。讨论了晶体结构的构象结构、分子振动光谱、拓扑结构和层次复杂性。1 的结构是分层的,包含 (100) 个 tts 拓扑类型的分子层。2 的结构不包含长分子组合,但显示出短 Br⋯O 触点将分子连接成一个中心对称的二聚体。
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Crystal Structure and Topological Features of Two New Indene Derivatives

7-Bromo-5-(tert-butyl)-2-phenyl-1H-indene (1) and 6,7-dibromo-2,4-dimethyl-2,3-dihydro-1H-inden-1-one (2) are analyzed by single crystal X-ray diffraction. The conformational structure, vibrational spectrum of molecules, topology and hierarchical complexity of crystal structures are discussed. The structure of 1 is layered and contains (100) molecular layers of the tts topological type. The structure of 2 does not contain long molecular ensembles but demonstrates short Br⋯O contacts linking molecules into a centrosymmetric dimer.

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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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