The unexpected discovery of the ninth polymorph of tolfenamic acidCitation formats

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The unexpected discovery of the ninth polymorph of tolfenamic acid. / Sacchi, Pietro; Reutzel-edens, Susan M.; Cruz-cabeza, Aurora J.

In: CrystEngComm, 20.04.2021.

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@article{5b238bfcb7e94250abf4bae85690ed73,
title = "The unexpected discovery of the ninth polymorph of tolfenamic acid",
abstract = "Tolfenamic acid (TFA) is a very well-studied polymorphic compound with eight polymorphs discovered to date. Here, we report on a new polymorph of TFA, form IX, which was unexpectedly crystallised from isopropanol at low temperatures. Crystals of form IX appeared concomitantly with the more common forms I and II, raising the question as to why this polymorph had never been reported before. With the aid of dispersion corrected DFT, paired with calculations of vibrational frequencies, we analysed the stability of this new polymorphic form of TFA. Thermal measurements, solubility measurements and solvent-mediated phase transformation experiments confirm that TFA form IX is a metastable polymorph, with a stability that is close to the well-known forms I and II.",
author = "Pietro Sacchi and Reutzel-edens, {Susan M.} and Cruz-cabeza, {Aurora J.}",
year = "2021",
month = apr,
day = "20",
doi = "10.1039/D1CE00343G",
language = "English",
journal = "CrystEngComm",
issn = "1466-8033",
publisher = "Royal Society of Chemistry",

}

RIS

TY - JOUR

T1 - The unexpected discovery of the ninth polymorph of tolfenamic acid

AU - Sacchi, Pietro

AU - Reutzel-edens, Susan M.

AU - Cruz-cabeza, Aurora J.

PY - 2021/4/20

Y1 - 2021/4/20

N2 - Tolfenamic acid (TFA) is a very well-studied polymorphic compound with eight polymorphs discovered to date. Here, we report on a new polymorph of TFA, form IX, which was unexpectedly crystallised from isopropanol at low temperatures. Crystals of form IX appeared concomitantly with the more common forms I and II, raising the question as to why this polymorph had never been reported before. With the aid of dispersion corrected DFT, paired with calculations of vibrational frequencies, we analysed the stability of this new polymorphic form of TFA. Thermal measurements, solubility measurements and solvent-mediated phase transformation experiments confirm that TFA form IX is a metastable polymorph, with a stability that is close to the well-known forms I and II.

AB - Tolfenamic acid (TFA) is a very well-studied polymorphic compound with eight polymorphs discovered to date. Here, we report on a new polymorph of TFA, form IX, which was unexpectedly crystallised from isopropanol at low temperatures. Crystals of form IX appeared concomitantly with the more common forms I and II, raising the question as to why this polymorph had never been reported before. With the aid of dispersion corrected DFT, paired with calculations of vibrational frequencies, we analysed the stability of this new polymorphic form of TFA. Thermal measurements, solubility measurements and solvent-mediated phase transformation experiments confirm that TFA form IX is a metastable polymorph, with a stability that is close to the well-known forms I and II.

U2 - 10.1039/D1CE00343G

DO - 10.1039/D1CE00343G

M3 - Article

JO - CrystEngComm

JF - CrystEngComm

SN - 1466-8033

ER -