Solvates of acotiamide hydrochloride: characterization and phase transformation

et al. 2022

Preprint

In this study we present a detailed crystallographic analysis of multiple solvates of an antibacterial furazidin. Solvate formation of furazidin was investigated by crystallizing it from pure solvents and solvent-water mixtures. Crystal structure analysis of the obtained solvates and computational calculations were used to rationalize the main factors leading to the intermolecular interactions present in the solvate crystal structures as well as resulting in formation of the observed solvates and solvate hydrates. Furazidin forms pure solvates and solvate hydrates with solvents having large hydrogen bond acceptor propensity as well as with a hydrogen bond donor and acceptor formic acid. In solvate hydrates the incorporation of water allows formation of additional hydrogen bonds and results in more efficient hydrogen bond network in which water is “hooking” the organic solvent molecule, and this slightly reduces the cut-off of solvent hydrogen bond acceptor propensity required for obtaining a solvate. The crystal structures of all pure solvates are formed from molecule layers and in almost all structures solvent is hydrogen bonded to the furazidin, but the packing in each solvate is unique. In contrast, the hydrogen bonding and packing in most solvate hydrates are nearly identical.

Section: Introductionmentioning

confidence: 99%

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin

et al. 2022

Preprint

“…Examples of compounds forming such solvates are olanzapine, bosutinib, stanozolol, 3,5-dihydroxybenzoic acid, , cholic acid, , deoxycholic acid, , etc. There are also many heterosolvates containing two different organic solvents in well-defined crystal structure sites. − Additionally, in part of the heterosolvates, solvent molecules are located in channels or other large cavities without specific requirements for the solvate shape and size or even interactions. , …”

Section: Introductionmentioning

confidence: 99%

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin

Crystal Growth & Design

et al. 2022

In this study, we present a detailed crystallographic analysis of multiple solvates of an antibacterial furazidin. Solvate formation of furazidin was investigated by crystallizing it from pure solvents and solvent–water mixtures. Crystal structure analysis of the obtained solvates and computational calculations were used to identify the main factors leading to the intermolecular interactions present in the solvate crystal structures and resulting in the formation of the observed solvates and solvate hydrates. Furazidin forms pure solvates and solvate hydrates with solvents having large hydrogen bond acceptor propensity and with a hydrogen bond donor and acceptor formic acid. In solvate hydrates, the incorporation of water allows the formation of additional hydrogen bonds and results in more efficient hydrogen bond networks in which water is “hooking” the organic solvent molecule, and this slightly reduces the cut-off of solvent hydrogen bond acceptor propensity required for obtaining a solvate. The crystal structures of all pure solvates are formed from molecule layers, and in almost all structures, the solvent is hydrogen-bonded to furazidin, but the packing in each solvate is unique. In contrast, the hydrogen bonding and packing in most solvate hydrates are nearly identical.

“…Examples for compounds forming such solvates are olanzapine 13 , bosutinib 14 , stanozolol 15 , 3,5dihydroxybenzoic acid [16][17] , cholic acid [18][19] , deoxycholic acid [20][21] etc. There are also many heterosolvates containing two different organic solvents in well-defined crystal structure sites [22][23][24][25] .…”

Section: Introductionmentioning

confidence: 99%

Crystallographic Study of Solvates and Solvate Hydrates of an Antibacterial Furazidin

et al. 2022

Preprint

In this study we present a detailed crystallographic analysis of multiple solvates of an antibacterial furazidin. Solvate formation of furazidin was investigated by crystallizing it from pure solvents and solvent-water mixtures. Crystal structure analysis of the obtained solvates and computational calculations were used to identify the main factors leading to the intermolecular interactions present in the solvate crystal structures and resulting in formation of the observed solvates and solvate hydrates. Furazidin forms pure solvates and solvate hydrates with solvents having large hydrogen bond acceptor propensity and with a hydrogen bond donor and acceptor formic acid. In solvate hydrates the incorporation of water allows formation of additional hydrogen bonds and results in more efficient hydrogen bond network in which water is “hooking” the organic solvent molecule, and this slightly reduces the cut-off of solvent hydrogen bond acceptor propensity required for obtaining a solvate. The crystal structures of all pure solvates are formed from molecule layers and in almost all structures solvent is hydrogen bonded to the furazidin, but the packing in each solvate is unique. In contrast, the hydrogen bonding and packing in most solvate hydrates are nearly identical.