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- W3208216265 abstract "Herein, we present the mechanochemical formation of three new cocrystals containing the active pharmaceutical ingredient carbamazepine and dihydroxybenzoic acids as coformers (CBZ:2,4-DHBA 1:1, CBZ:2,5-DHBA 1:1, and CBZ:2,6-DHBA 1:1). Rietveld methods were used for three different purposes: (i) refining all structures solved using powder X-ray diffraction, (ii) performing a quantitative phase analysis of the diffraction data collected from ex situ mechanochemical reactions at different milling times, and (iii) determining the cocrystallization kinetic profiles. The rate of cocrystallization was found to be higher for the formation of CBZ:2,4-DHBA and CBZ:2,6-DHBA, reaching an equilibrium after 600 s of milling. In the case of CBZ:2,5-DHBA a short induction period of 20 s was detected prior to the start of the reaction and an equilibrium was reached after 1200 s. An empirical trend between the rate of cocrystallization and the structural complexity of the cocrystal product was found. The slowest cocrystallization rate observed for CBZ:2,5-DHBA corresponds to the crystal structure deviating substantially from the hydrogen-bonding motif found in the reactants." @default.
- W3208216265 created "2021-11-08" @default.
- W3208216265 creator A5063987634 @default.
- W3208216265 creator A5078743768 @default.
- W3208216265 date "2021-11-01" @default.
- W3208216265 modified "2023-09-29" @default.
- W3208216265 title "Carbamazepine Dihydroxybenzoic Acid Cocrystals: Exploring Packing Interactions and Reaction Kinetics" @default.
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- W3208216265 doi "https://doi.org/10.1021/acs.cgd.1c00902" @default.
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