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COMPARISON OF MOLECULAR PACKINGS OF CRYSTAL STRUCTURES OF (1S,3S)- AND (1S,3R)-1-tert-BUTYL- 3-METHYL-1-PHENYL-1,3-DIHYDRO-2-BENZOFURAN
Journal of Structural Chemistry ( IF 1.2 ) Pub Date : 2020-12-01 , DOI: 10.1134/s0022476620120161
A. V. Maleev , K. A. Potekhin , A. A. Gevorgyan , V. M. Demyanovich , I. N. Shishkina

Abstract Results of the X-ray diffraction study of the crystal structure of (1S,3S)-1- tert- butyl-3-methyl-1-phenyl-1,3-dihydro-2-benzofuran and also its comparison with the crystal structure of (1S,3R)-1- tert- butyl-3-methyl-1-phenyl-1,3-dihydro-2-benzofuran that we analyzed previously by X-ray diffraction are presented. By means of the analysis of geometric and energy characteristics of active intermolecular atom-atom contacts substantial distinctions in these structures and the presence of almost the same geometric fragments are reveled in them.

中文翻译:

(1S,3S)-和(1S,3R)-1-叔丁基-3-甲基-1-苯基-1,3-二氢-2-苯并呋喃的晶体结构的分子填充比较

摘要 (1S,3S)-1-叔丁基-3-甲基-1-苯基-1,3-二氢-2-苯并呋喃晶体结构的X射线衍射研究结果及其与晶体的比较我们之前通过 X 射线衍射分析的 (1S,3R)-1-叔丁基-3-甲基-1-苯基-1,3-二氢-2-苯并呋喃的结构如图所示。通过分析活性分子间原子 - 原子接触的几何和能量特征,这些结构中的实质性区别和几乎相同的几何碎片的存在被陶醉其中。
更新日期:2020-12-01
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