Journal article
Monitoring Cocrystal Formation via In Situ Solid-State NMR
The journal of physical chemistry letters, Vol.5(19), pp.3340-3344
10/02/2014
DOI: 10.1021/jz501699h
PMID: 26278442
Abstract
A detailed understanding of the mechanism of organic cocrystal formation remains elusive. Techniques that interrogate a reacting system in situ are preferred, though experimentally challenging. We report here the results of a solid-state in situ NMR study of the spontaneous formation of a cocrystal between a pharmaceutical mimic (caffeine) and a coformer (malonic acid). Using C-13 magic angle spinning NMR, we show that the formation of the cocrystal may be tracked in real time. We find no direct evidence for a short-lived, chemical shift-resolved amorphous solid intermediate. However, changes in the line width and line center of the malonic acid methylene resonance, in the course of the reaction, provide subtle clues to the mode of mass transfer that underlies cocrystal formation.
Details
- Title: Subtitle
- Monitoring Cocrystal Formation via In Situ Solid-State NMR
- Creators
- Venkata S. Mandala - Oberlin CollegeSarel J. Loewus - Oberlin CollegeManish A. Mehta - Oberlin College
- Resource Type
- Journal article
- Publication Details
- The journal of physical chemistry letters, Vol.5(19), pp.3340-3344
- DOI
- 10.1021/jz501699h
- PMID
- 26278442
- NLM abbreviation
- J Phys Chem Lett
- ISSN
- 1948-7185
- eISSN
- 1948-7185
- Publisher
- Amer Chemical Soc
- Number of pages
- 5
- Grant note
- CHE-1012813 / NSF-RUI; National Science Foundation (NSF) Camille and Henry Dreyfus Foundation DMR-0922588 / NSFMRI; National Science Foundation (NSF); NSF - Office of the Director (OD)
- Language
- English
- Date published
- 10/02/2014
- Academic Unit
- Biochemistry and Molecular Biology
- Record Identifier
- 9985112881802771
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