Characterization of non-classical CBr⋯π interactions in (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene and related derivatives of ferrocene

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• 作者：Rahul Shukla^a ; Piyush Panini^a ; C. John McAdam^b ; Brian H. Robinson^b ; Jim Simpson^b ; ^{jsimpson@alkali.otago.ac.nz} ; Tei Tagg^c ; Deepak Chopra^a ; ^{dchopra@iiserb.ac.in}
• 关键词：Halogen bond ; Hydrogen bond ; σ-hole ; Ferrocene ; Intermolecular interactions ; Electrostatic potential
• 刊名：Journal of Molecular Structure
• 出版年：2017
• 出版时间：5 March 2017
• 年：2017
• 卷：1131
• 期：Complete
• 页码：16-24
• 全文大小：2319 K
• 卷排序：1131

文摘

Crystal structure of (E)-1,3-dibromo-5-(2-(ferrocenyl)vinyl)benzene has been reported. Presence of highly directional CBr⋯π interactions. Multiple structures reported in Cambridge Structure Database (CSD) shows presence of CBr⋯π interactions. These interactions falls in the category of “σ-hole interaction”.