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) …

Combined experimental and theoretical studies of Quinoxalinone-based Spiropyrrolidines: Estimation of non-covalent interactions

D Tsering, P Dey, T Amin, A Goswami… - Journal of Molecular …, 2024 - Elsevier
Dipolar cycloaddition reaction of azomethine ylides (generated in situ) with (E)-3-
styrylquinoxalin-2 (1H)-one as dipolarophile was developed to access a quinoxalinone …

Naphthalene Monoanhydride and Perylene Composites for Efficient Photocatalytic Hydrogen Evolution and Metal-Free Heterogeneous Oxidative Amidation

A Kumari, RS Roy, UK Gautam… - ACS Applied Materials & …, 2024 - ACS Publications
This study explores the synthesis of two visible light active organic chromophore-based
composites using naphthalene monoanhydride (Np) and 1, 7-dibromoperylene …

Synthesis, crystal structure, supramolecular assembly inspection via hirshfeld surface analysis and computational investigation of the pyrimethamine-based salts

MN Tahir, AN Malik, M Ashfaq, KS Munawar… - Journal of Molecular …, 2025 - Elsevier
In current research work, two salts abbreviated as 5DECA and 2DECA derived from
pyrimethamine and aceclofenac are synthesized by using a simple method of reflux in …

Structural elucidation and various computational studies for quantitative investigation of intermolecular interactions in pyridine-2, 6-dicarboxylic acid and its di-hydrate

S Islam, P Dey, SK Seth - Journal of Molecular Structure, 2024 - Elsevier
Abstract Crystals of pyridine-2, 6-dicarboxylic acid (1) have been structurally characterized
through single-crystal X-ray diffraction analysis and compared with pyridine-2, 6-dicarboxylic …

Theoretical and experimental investigations on structural, electronic and biological properties of novel carbazate containing furaldehyde based imines

MZ Shaikh, AS Shatat, HA Bakar, M Kaur… - Journal of Molecular …, 2024 - Elsevier
A convenient and facile synthesis of tert‑butyl (E)-2-(furan-2-ylmethylene) hydrazine-1-
carboxylate (a) and ethyl (E)-2-(furan-2-ylmethylene) hydrazine-1-carboxylate (b) were …

Structural, spectroscopic and computational studies of a new hydrogen-bonded organic framework containing carbazole moiety

YP Xia, YX Huang, L Liu - Journal of Molecular Structure, 2024 - Elsevier
A new hydrogen-bonded organic framework, CZ-1, containing a carbazole moiety was
synthesized and characterized by SXRD, UV–Vis, FL and computational methods. SXRD …

Analysis of Solid-State Emission of the p-Bis(2,2-dicyanovinyl)benzene Analogue through Combined X-ray, Synchrotron, and Microcrystal Electron Diffraction

P Deka, S Jaiswal, P Sarma, D Bora… - Crystal Growth & …, 2024 - ACS Publications
Organic solid-state emissive materials have recently gained significant attention for their
optoelectronic properties, leading to the design of various optical devices and sensors …

[HTML][HTML] A novel phosphate-based metal-organic framework: Synthesis and comprehensive structural characterization

N Bouzidia, B Hamdi, F Capitelli - Materials Research Bulletin, 2025 - Elsevier
ABSTRACT A novel organic-inorganic metallo-phosphate complex, CoF 2 (H 2 O) Fe (C 10
H 8 N 2)(HPO 4) 2, obtained through hydrothermal method, was characterized via single …

Exploring the Spatial Arrangement of Cs-Symmetric Boron Subphthalocyanine Hybrid Crystals by Tuning Arene–Perfluoroarene Interactions

NF Farac, AJ Lough, TP Bender - Crystal Growth & Design, 2024 - ACS Publications
Manipulating the solid-state arrangements of organic electronic materials can profoundly
impact the performance of the devices in which they are utilized. This study investigates how …