The Third Ambient Aspirin Polymorph
Abstract
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.
- Authors:
-
[1];
- 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)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- 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
- OSTI Identifier:
- 1373897
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Crystal Growth and Design
- Additional Journal Information:
- Journal Volume: 17; Journal Issue: 6; Journal ID: ISSN 1528-7483
- Publisher:
- American Chemical Society
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Citation Formats
Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, and Kahr, Bart. The Third Ambient Aspirin Polymorph. United States: N. p., 2017.
Web. doi:10.1021/acs.cgd.7b00673.
Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, & Kahr, Bart. The Third Ambient Aspirin Polymorph. United States. https://doi.org/10.1021/acs.cgd.7b00673
Shtukenberg, Alexander G., Hu, Chunhua T., Zhu, Qiang, Schmidt, Martin U., Xu, Wenqian, Tan, Melissa, and Kahr, Bart. Wed .
"The Third Ambient Aspirin Polymorph". United States. https://doi.org/10.1021/acs.cgd.7b00673. https://www.osti.gov/servlets/purl/1373897.
@article{osti_1373897,
title = {The Third Ambient Aspirin Polymorph},
author = {Shtukenberg, Alexander G. and Hu, Chunhua T. and Zhu, Qiang and Schmidt, Martin U. and Xu, Wenqian and Tan, Melissa and Kahr, Bart},
abstractNote = {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.},
doi = {10.1021/acs.cgd.7b00673},
journal = {Crystal Growth and Design},
number = 6,
volume = 17,
place = {United States},
year = {Wed May 17 00:00:00 EDT 2017},
month = {Wed May 17 00:00:00 EDT 2017}
}
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Figures / Tables:
Figure 1: Polarized light optical micrograph showing simultaneous crystallization of banded spherulites of aspirin I and or II characterized by concentric optical rings, and smooth spherulites of aspirin IV from the melt containing 16.6 wt.% Canada balsam at room temperature.
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Works referencing / citing this record:
Discovery of new polymorphs of the tuberculosis drug isoniazid
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Evolutionary niching in the GAtor genetic algorithm for molecular crystal structure prediction
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Structure prediction drives materials discovery
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