A Combined Experimental and Theoretical Study of Nitrofuran Antibiotics: Crystal Structures, DFT Computations, Sublimation and Solution Thermodynamics

A Combined Experimental and Theoretical Study of Nitrofuran Antibiotics: Crystal Structures, DFT Computations, Sublimation and Solution Thermodynamics

Single crystal of furazolidone (FZL) has been successfully obtained, and its crystal structure has been determined. Common and distinctive features of furazolidone and nitrofurantoin (NFT) crystal packing have been discussed. Combined use of QTAIMC and Hirshfeld surface analysis allowed characterizi...

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Bibliographic Details
Main Authors: Alex N. Manin, Ksenia V. Drozd, Alexander P. Voronin, Andrei V. Churakov, German L. Perlovich
Format: Article
Language:English
Published: MDPI AG 2021-06-01
Series:Molecules
Subjects:
nitrofurantoin
furazolidone
sublimation thermodynamics
transpiration method
crystal structure
crystal lattice energy
Online Access:https://www.mdpi.com/1420-3049/26/11/3444

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