Work

New salt-solvates of Mirabegron: a combined experimental and computational study

Year: 2025

Type: article

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.

Source: CrystEngComm

DOI: 10.1039/d4ce01228c

Authors: Rafel Prohens, Rafael Barbas, Miquel Barceló-Oliver, Antonio Frontera

Institutions: Universitat de Barcelona, Centres Científics i Tecnològics de la Universitat de Barcelona, Universitat de les Illes Balears

Language: English

Topic: Crystallography and molecular interactions

Subfield: Physical and Theoretical Chemistry

Field: Chemistry

Domain: Physical Sciences

Open Access status: hybrid

Funders: Federación Española de Enfermedades Raras, Agencia Estatal de Investigación

Awards: G3009236728, G3172037162, G4478849203, G7127303938, G7469850751