Carolina E. Galvez, Oscar E. Piro, Gustavo A. Echeverría, Krishnan Vignesh, Subbiah Thamotharan, María del H. Loandos and Diego M. Gil
CrystEngComm, 2025,27, 3806-3822
Abstract
This study is devoted to the analysis of the C–H⋯π(C![[double bond, length as m-dash]](https://www.rsc.org/images/entities/char_e001.gif)
O) contacts established between the H-atom of one methyl group and the π-system of the carbonyl group from the acetoxy moiety.
Rafel Prohens, Rafael Barbas, Miquel Barceló-Oliver and Antonio Frontera
CrystEngComm, 2025,27, 2720-2728
Abstract
We report a joined crystallographic/computational work on new salt-solvates of the mirabegron drug. It has provided deeper insight into the complex interplay of π-stacking and hydrogen-bonding interactions governing its molecular arrangement.
Mónica Benito, Ghodrat Mahmoudi, Elies Molins, Ennio Zangrando, Masoumeh Servati Gargari, Rosa M. Gomila, Antonio Frontera and Damir A. Safin
CrystEngComm, 2025,27, 164-175
Abstract
This manuscript presents the synthesis, structural characterization and DFT analysis of a series of copper(II) coordination compounds synthesized through various methods.
María Lucrecia Arias Cassará, Hiram Pérez, Lilian E. Davies, Gustavo A. Echeverría, Oscar E. Piro and Diego M. Gil
CrystEngComm, 2025,27, 6781-6796
Abstract
Intermolecular interactions involving fluorine atoms, similar to halogen bonding, play a pivotal role in the solid-state arrangement of 2′-hydroxychalcone derivatives.
Md Gishan, Puspendu Middya, Michael G. B. Drew, Antonio Frontera and Shouvik Chattopadhyay
RSC Adv., 2024,14, 30896-30911
Abstract
Different supramolecular interactions in the solid state structures of three zinc(II) Schiff base complexes have been analyzed using DFT calculations and a variety of computational tools (MEP, QTAIM and NCIplot).