Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III

Matthew L. Peterson; Sherry L. Morissette; Chris McNulty; Andrew Goldsweig; Paul Shaw; Martin LeQuesne; Julie Monagle; Nicolas Encina; Joseph Marchionna; Alasdair Johnson; Javier Gonzalez-Zugasti; Anthony V. Lemmo; Stephen J. Ellis; Michael J. Cima; Örn Almarsson

doi:10.1021/ja020751w

Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III

Matthew L. Peterson, Sherry L. Morissette, Chris McNulty, Andrew Goldsweig, Paul Shaw, Martin LeQuesne, Julie Monagle, Nicolas Encina, Joseph Marchionna, Alasdair Johnson, Javier Gonzalez-Zugasti, Anthony V. Lemmo, Stephen J. Ellis, Michael J. Cima, Örn Almarsson

Research output: Contribution to journal › Article › peer-review

162 Scopus citations

Abstract

Three crystal forms of acetaminophen were prepared and characterized using a newly developed high-throughput crystallization platform, CrystalMax. The platform consists of design software, robotic sample dispensing and handling, and high-throughput microanalytics and is capable of running thousands of crystallizations in parallel using several different methods to drive supersaturation and subsequent crystallization. Additionally, structural models of the elusive third form of acetaminophen will be discussed on the basis of powder X-ray diffraction data. One structure suggested has a bilayer motif, held together by O-H⋯O(H) hydrogen bonds, and helps explain the difficulty associated with preparing this form from solution.

Original language	English (US)
Pages (from-to)	10958-10959
Number of pages	2
Journal	Journal of the American Chemical Society
Volume	124
Issue number	37
DOIs	https://doi.org/10.1021/ja020751w
State	Published - Sep 18 2002
Externally published	Yes

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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Peterson, M. L., Morissette, S. L., McNulty, C., Goldsweig, A., Shaw, P., LeQuesne, M., Monagle, J., Encina, N., Marchionna, J., Johnson, A., Gonzalez-Zugasti, J., Lemmo, A. V., Ellis, S. J., Cima, M. J., & Almarsson, Ö. (2002). Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III. Journal of the American Chemical Society, 124(37), 10958-10959. https://doi.org/10.1021/ja020751w

Peterson, ML, Morissette, SL, McNulty, C, Goldsweig, A, Shaw, P, LeQuesne, M, Monagle, J, Encina, N, Marchionna, J, Johnson, A, Gonzalez-Zugasti, J, Lemmo, AV, Ellis, SJ, Cima, MJ & Almarsson, Ö 2002, 'Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III', Journal of the American Chemical Society, vol. 124, no. 37, pp. 10958-10959. https://doi.org/10.1021/ja020751w

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AU - Shaw, Paul

AU - LeQuesne, Martin

AU - Monagle, Julie

AU - Encina, Nicolas

AU - Marchionna, Joseph

AU - Johnson, Alasdair

AU - Gonzalez-Zugasti, Javier

AU - Lemmo, Anthony V.

AU - Ellis, Stephen J.

AU - Cima, Michael J.

AU - Almarsson, Örn

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Iterative high-throughput polymorphism studies on acetaminophen and an experimentally derived structure for form III

Abstract

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