@misc{10481/107439,
year = {2025},
month = {10},
url = {https://hdl.handle.net/10481/107439},
abstract = {Sublimation has emerged as a powerful tool for
polymorphic screening in pharmaceutical multicomponent materials. In this work, a combined strategy involving mechanochemistry
and sublimation enables the selective synthesis and isolation of a
novel polymorph (Form III) of the niflumic acid−caffeine (NIF−
CAF) cocrystal. Solid-state characterization and complementary
theoretical studies revealed that Form III is morphotropically
related to Form II, sharing a similar molecular conformation with
the −COOH and −CF3 groups positioned on the same side of the
NIF molecule. However, Form III exhibits a distinct packing
arrangement, featuring embedded −CF3 groups and alternating
molecular tapes stabilized by π−π and F···F interactions. Thermal
analysis also indicates an enantiotropic relationship between Forms
II and III, with Form III becoming the more stable phase above the estimated transition temperature of ∼102 °C, and showing a
melting point of 156 °C. These findings demonstrate the relevance of sublimation in polymorphic screening and its potential to
expand the solid-state landscape of multicomponent materials with enhanced control and reproducibility},
organization = {MCIU/AEI/10.13039/501100011033 and ERDF – (Grants PID2023-151538NB-I00, PID2023-146632OB-I00, PID2023-148453NB-I00)},
publisher = {American Chemical Society},
title = {Exploring Sublimation as a Tool for Polymorphic Screening in Niflumic Acid−Caffeine Pharmaceutical Cocrystals},
doi = {10.1021/acs.cgd.5c01007},
author = {Acebedo-Martínez, Francisco J. and Alarcón Payer, Carolina and Domínguez Martín, Alicia and Frontera, Antonio and Prohens, Rafel and Barbas, Rafael and Choquesillo Lazarte, Duane},
}