Tiwari, S and Arya, N and Mishra, SK and Suryaprakash, N (2021) Competing HB acceptors: An extensive NMR investigations corroborated by single crystal XRD and DFT calculations. In: RSC Advances, 11 (25). pp. 15195-15202.
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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 CO 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. © 2021 The Royal Society of Chemistry.
| Item Type: | Journal Article |
|---|---|
| Publication: | RSC Advances |
| Publisher: | Royal Society of Chemistry |
| Additional Information: | The copyright for this article belongs to Authors |
| Keywords: | Nuclear magnetic resonance spectroscopy; X ray diffraction, 1H-NMR spectra; DFT calculation; DFT study; High field; Single crystal XRD, Single crystals |
| Department/Centre: | Division of Chemical Sciences > NMR Research Centre (Formerly Sophisticated Instruments Facility) Division of Chemical Sciences > Solid State & Structural Chemistry Unit |
| Date Deposited: | 05 Aug 2021 09:51 |
| Last Modified: | 05 Aug 2021 09:51 |
| URI: | http://eprints.iisc.ac.in/id/eprint/69058 |
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