Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study

In this work, we report the cocrystallization of N<sup>9</sup>-ethyladenine with 1,2,4,5-tetrafluoro-3,6-diiodobenzene (TFDIB), a classical XB donor. As far as our knowledge extends, this is the first cocrystal reported to date where an adenine derivative acts as a halogen bond acceptor....

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Bibliographic Details
Main Authors: Yannick Roselló, Mónica Benito, Elies Molins, Miquel Barceló-Oliver, Antonio Frontera
Format: Article
Language:English
Published: MDPI AG 2019-04-01
Series:Crystals
Subjects:
N<sup>9</sup>-ethyladenine
crystal engineering
noncovalent interactions
halogen bonding
hydrogen bonding
DFT
QTAIM
cocrystal
TFDIB
Online Access:https://www.mdpi.com/2073-4352/9/4/224

Internet

https://www.mdpi.com/2073-4352/9/4/224

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