An energetic and topological approach to understanding the interplay of noncovalent interactions in a series of crystalline spiropyrrolizine compounds

D Tsering, P Dey, KK Kapoor, SK Seth - ACS omega, 2024 - ACS Publications
Synthesis of quinoline-containing spiropyrrolizine was achieved via a 1, 3-dipolar
cycloaddition reaction of azomethine ylide (generated in situ from ninhydrin and l-proline) …

Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Approach of a New Pyrazolo[3,4-g]isoquinoline Derivative as Potent against Leucine …

EA Bakhite, SK Mohamed, CH Lai, K Subramani… - ACS …, 2024 - ACS Publications
Ethyl-2-((8-cyano-3, 5, 9a-trimethyl-1-(4-oxo-4, 5-dihydrothiazol-2-yl)-4-phenyl-3a, 4, 9, 9a-
tetrahydro-1 H-pyrazolo [3, 4-g] isoquinolin-7-yl) thio) acetate (5) was synthesized, and its …

Structural elucidation and quantitative analysis of noncovalent interaction in spiropyrrolidine compounds: experimental and theoretical quantum mechanical studies

D Tsering, S Islam, N Slathia, KK Kapoor… - Journal of Molecular …, 2025 - Elsevier
Abstract One-pot three-component [3+ 2] cycloaddition reaction of dipolarophile (E)-3-
styrylquinoxalin-2 (1H)-one with azomethine ylide (generated in situ from indenoquinoxaline …

Exploring the solid-state structural aspects of a novel hybrid quinoxaline based isoxazole compound: Inputs from experimental and computational studies

N Abad, P Das, JT Mague, AYA Alzahrani… - Journal of Molecular …, 2025 - Elsevier
A comprehensive computational study has been carried out to investigate the noncovalent
interactions responsible for building supramolecular network in the solid-state of a novel …

[HTML][HTML] Unusual Metal–organic Multicomponent Ni (II) and Mononuclear Zn (II) Compounds Involving Pyridine dicarboxylates: Supramolecular Assemblies and …

KK Dutta, P Sharma, S Banik, RM Gomila, A Frontera… - Inorganics, 2024 - mdpi.com
In the present work, we reported the synthesis and characterization [single crystal X-ray
diffraction technique, spectroscopic, etc.] of two new Ni (II) and Zn (II) coordination …