ArticleRSC advances2018
Intramolecular hydrogen bond directed stable conformations of benzoyl phenyl oxalamides: unambiguous evidence from extensive NMR studies and DFT-based computations.
Article in RSC advances, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 8 papers.
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8 citing papers in PubMed.
- Stereochemical Analysis of Trifluoroacetamide Derivatives Based on Through-The Journal of organic chemistry · 2023Article
- The Effect of Branched Alkyl Chain Length on the Properties of Supramolecular Organogels from Mono-Gels (Basel, Switzerland) · 2022Article
- Article
- Thiourea- and Amino-Substituted Benzoxadiazole Dyes with Large Stokes Shifts as Red-Emitting Probe Monomers for Imprinted Polymer Layers Targeting Carboxylate-Containing Antibiotics.Chemistry (Weinheim an der Bergstrasse, Germany) · 2022Article
- Synthesis, DFT Molecular Geometry and Anticancer Activity of Symmetrical 2,2'-(2-Oxo-1Materials (Basel, Switzerland) · 2022Article
- Exploring Intra- and Intermolecular Interactions in SelectedMolecules (Basel, Switzerland) · 2022Article
- Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations.RSC advances · 2021Article
- Quantum chemical determination of molecular geometries and spectral investigation of 4-ethoxy-2, 3-difluoro benzamide.Heliyon · 2019Article
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4 authors.
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Abstract
A number of benzoyl phenyl oxalamide derivatives have been synthesized and characterized by the extensive utility of one- and two-dimensional NMR experimental techniques. The manifestation of intramolecular hydrogen bonds in all of the synthesized molecules, convincingly established using NMR studies, governs the stable conformations of the molecules. In the fluorine substituted molecules, the coupling between two NMR active nuclei mediated through hydrogen bonds has been detected. The measured chemical shift difference of an NH proton has been employed to calculate the energy of the HBs. NMR analysis revealed the electrostatic nature of the hydrogen bonds in all of the molecules. The NMR experimental findings have been validated using Density Functional Theory (DFT)-based Non Covalent Interactions (NCIs) and Quantum Theory of Atoms In Molecules (QTAIM) computations.
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