The Third Ambient Aspirin Polymorph

Shtukenberg, Alexander G.; Hu, Chunhua T.; Zhu, Qiang; Schmidt, Martin U.; Xu, Wenqian; Tan, Melissa; Kahr, Bart

doi:10.1021/acs.cgd.7b00673

Title: The Third Ambient Aspirin Polymorph

Journal Article · Wed May 17 00:00:00 EDT 2017 · Crystal Growth and Design

DOI:https://doi.org/10.1021/acs.cgd.7b00673· OSTI ID:1373897

^[1]; Hu, Chunhua T. ^[1]; Zhu, Qiang ^[2]; Schmidt, Martin U. ^[3]; Xu, Wenqian ^[4]; Tan, Melissa ^[1]; Kahr, Bart ^[5]

New York Univ., New York City, NY (United States)
Univ. of Nevada, Las Vegas, NV (United States)
Goethe Univ., Frankfurt am Main (Germany)
Argonne National Lab. (ANL), Argonne, IL (United States)
New York Univ., New York City, NY (United States); Waseda Univ., Tokyo (Japan)

Polymorphism in aspirin (acetylsalicylic acid), one of the most widely consumed medications, was equivocal until the structure of a second polymorph II, similar in structure to the original form I, was reported in 2005. Here, the third ambient polymorph of aspirin is described. Lastly, it was crystallized from the melt and its structure was determined using a combination of X-ray powder diffraction analysis and crystal structure prediction algorithms.

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Research Organization:: Argonne National Lab. (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF); USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22), Scientific User Facilities Division

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1373897

Journal Information:: Crystal Growth and Design, Vol. 17, Issue 6; ISSN 1528-7483

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 59 works

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References (27)

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Cited By (9)

Discovery of new polymorphs of the tuberculosis drug isoniazid Zhang, Keke; Fellah, Noalle; Shtukenberg, Alexander G. CrystEngComm https://doi.org/10.1039/d0ce00440e	journal	January 2020
Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction Curtis, Farren; Rose, Timothy; Marom, Noa Faraday Discussions, Vol. 211 https://doi.org/10.1039/c8fd00067k	journal	January 2018
Control and prediction of the organic solid state: a challenge to theory and experiment Price, Sarah L. Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 474, Issue 2217 https://doi.org/10.1098/rspa.2018.0351	journal	September 2018
Structure prediction drives materials discovery Oganov, Artem R.; Pickard, Chris J.; Zhu, Qiang Nature Reviews Materials, Vol. 4, Issue 5 https://doi.org/10.1038/s41578-019-0101-8	journal	April 2019
Probing stress induced phase transformation in aspirin polymorphs using Raman spectroscopy enabled nanoindentation Manimunda, Praveena; Syed Asif, S. A.; Mishra, Manish Kumar Chemical Communications, Vol. 55, Issue 62 https://doi.org/10.1039/c9cc04538d	journal	January 2019
Confinement-induced polymorphism in acetylsalicylic acid–nanoporous glass composites Peksa, P.; Trzmiel, J.; Ptak, M. Journal of Materials Science, Vol. 54, Issue 1 https://doi.org/10.1007/s10853-018-2853-8	journal	August 2018
ROY revisited, again: the eighth solved structure Tan, Melissa; Shtukenberg, Alexander G.; Zhu, Shengcai Faraday Discussions, Vol. 211 https://doi.org/10.1039/c8fd00039e	journal	January 2018
Polymorphism of griseofulvin: concomitant crystallization from the melt and a single crystal structure of a metastable polymorph with anomalously large thermal expansion Su, Yuan; Xu, Jia; Shi, Qin Chemical Communications, Vol. 54, Issue 4 https://doi.org/10.1039/c7cc07744k	journal	January 2018
Structure Prediction Drives Materials Discovery Oganov, Artem; Pickard, Christopher; Zhu, Qiang Apollo - University of Cambridge Repository https://doi.org/10.17863/cam.39313	text	January 2019

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