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Issue 25, 2021, Issue in Progress
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Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations

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Abstract

A series of N-benzoylanthranilamide derivatives have been synthesized with the substitution of competitive HB acceptors and investigated by NMR spectroscopy and single crystal XRD. The interesting rivalry for HB acceptance between [double bond splayed left]C[double bond, length as m-dash]O and X (F or OMe) is observed in the investigated molecules which leads to an unusual increase in the electron density at the site of one of the NH protons, reflecting in the high field resonance in the 1H NMR spectrum. The NMR experimental findings and single crystal XRD are further reinforced by the DFT studies.

Graphical abstract: Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations

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Supplementary files

Article information


Submitted
31 Mar 2021
Accepted
11 Apr 2021
First published
22 Apr 2021

This article is Open Access

RSC Adv., 2021,11, 15195-15202
Article type
Paper

Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations

S. Tiwari, N. Arya, S. K. Mishra and N. Suryaprakash, RSC Adv., 2021, 11, 15195
DOI: 10.1039/D1RA02538D

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