A [15]paracyclophenone and its fluorenone-containing derivatives: syntheses and binding to nerve agent mimics via aryl-CH hydrogen bonding interactions
Literature Information
Publication Date
2020-05-14
DOI
10.1039/D0QO00456A
Impact Factor
5.281
Authors
Peiren Liu, Hongliang Wang, Hong Zeng, Xin Hong, Feihe Huang
View Original
Abstract
The syntheses and crystal structures of a [15]paracyclophenone and its two fluorenone-containing derivatives I and II are reported. The nerve agent mimics binding behaviors with 2 and I driven by the ‘non-traditional’ aryl-CH hydrogen bonding interactions are demonstrated in the solid state and supported by DFT calculations. The affinity of compound I towards the real nerve agents via this binding mode is also predicted by the computational method.
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