Mechanistic insight into the evaporative crystallization of two polymorphs of nitrofurantoin monohydrate

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Mechanistic insight into the evaporative crystallization of two polymorphs of nitrofurantoin monohydrate. / Tian, F.; Qu, H.; Louhi-Kultanen, M.; Rantanen, J.

In: Journal of Crystal Growth, Vol. 311, No. 8, 01.04.2009, p. 2580-2589.

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@article{a3d12fccee7b44cdb6d3cfeb62041f50,
title = "Mechanistic insight into the evaporative crystallization of two polymorphs of nitrofurantoin monohydrate",
abstract = "This study was conducted to gain a deeper understanding of the crystallization behavior of both known nitrofurantoin (NF) monohydrates (monohydrates I and II). NF monohydrate crystals were obtained by evaporative crystallization from a series of acetone-water mixtures. The water activity of each solution together with the solubility of NF was used for calculation of the NF supersaturation profiles during evaporative crystallization. The crystallization process for each solution was monitored in situ by optical and Raman microscopy. It was found that the fraction of the metastable monohydrate I in the final product increased with decreasing water fraction, suggesting that the nucleation rate of monohydrate I increases with decreasing water activity. In addition, the morphology of both monohydrate forms was affected by the water fraction in the solvent. The in situ images and Raman spectra taken during the evaporative crystallization from water-acetone mixture (0.67 mole fraction of water) demonstrated that the crystallization of the stable monohydrate II was encountered first, and the nucleation of the metastable monohydrate I happened afterwards at a reduced supersaturation level. This indicates that the crystal packing of the NF monohydrate from acetone-water solutions was affected by both supersaturation and water activity.",
keywords = "A1. Crystallization, A1. Nucleation, A1. Optical microscopy, A1. Polymorph, A1. Supersaturation, A1. Water activity",
author = "F. Tian and H. Qu and M. Louhi-Kultanen and J. Rantanen",
year = "2009",
month = "4",
day = "1",
doi = "10.1016/j.jcrysgro.2009.02.004",
language = "English",
volume = "311",
pages = "2580--2589",
journal = "Journal of Crystal Growth",
issn = "0022-0248",
publisher = "Elsevier",
number = "8",

}

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TY - JOUR

T1 - Mechanistic insight into the evaporative crystallization of two polymorphs of nitrofurantoin monohydrate

AU - Tian, F.

AU - Qu, H.

AU - Louhi-Kultanen, M.

AU - Rantanen, J.

PY - 2009/4/1

Y1 - 2009/4/1

N2 - This study was conducted to gain a deeper understanding of the crystallization behavior of both known nitrofurantoin (NF) monohydrates (monohydrates I and II). NF monohydrate crystals were obtained by evaporative crystallization from a series of acetone-water mixtures. The water activity of each solution together with the solubility of NF was used for calculation of the NF supersaturation profiles during evaporative crystallization. The crystallization process for each solution was monitored in situ by optical and Raman microscopy. It was found that the fraction of the metastable monohydrate I in the final product increased with decreasing water fraction, suggesting that the nucleation rate of monohydrate I increases with decreasing water activity. In addition, the morphology of both monohydrate forms was affected by the water fraction in the solvent. The in situ images and Raman spectra taken during the evaporative crystallization from water-acetone mixture (0.67 mole fraction of water) demonstrated that the crystallization of the stable monohydrate II was encountered first, and the nucleation of the metastable monohydrate I happened afterwards at a reduced supersaturation level. This indicates that the crystal packing of the NF monohydrate from acetone-water solutions was affected by both supersaturation and water activity.

AB - This study was conducted to gain a deeper understanding of the crystallization behavior of both known nitrofurantoin (NF) monohydrates (monohydrates I and II). NF monohydrate crystals were obtained by evaporative crystallization from a series of acetone-water mixtures. The water activity of each solution together with the solubility of NF was used for calculation of the NF supersaturation profiles during evaporative crystallization. The crystallization process for each solution was monitored in situ by optical and Raman microscopy. It was found that the fraction of the metastable monohydrate I in the final product increased with decreasing water fraction, suggesting that the nucleation rate of monohydrate I increases with decreasing water activity. In addition, the morphology of both monohydrate forms was affected by the water fraction in the solvent. The in situ images and Raman spectra taken during the evaporative crystallization from water-acetone mixture (0.67 mole fraction of water) demonstrated that the crystallization of the stable monohydrate II was encountered first, and the nucleation of the metastable monohydrate I happened afterwards at a reduced supersaturation level. This indicates that the crystal packing of the NF monohydrate from acetone-water solutions was affected by both supersaturation and water activity.

KW - A1. Crystallization

KW - A1. Nucleation

KW - A1. Optical microscopy

KW - A1. Polymorph

KW - A1. Supersaturation

KW - A1. Water activity

UR - http://www.scopus.com/inward/record.url?scp=65249165473&partnerID=8YFLogxK

U2 - 10.1016/j.jcrysgro.2009.02.004

DO - 10.1016/j.jcrysgro.2009.02.004

M3 - Article

VL - 311

SP - 2580

EP - 2589

JO - Journal of Crystal Growth

JF - Journal of Crystal Growth

SN - 0022-0248

IS - 8

ER -

ID: 10772546