scholarly journals NMR Crystallography at Fast Magic-Angle Spinning Frequencies: Application of Novel Recoupling Methods

Crystals ◽  
2019 ◽  
Vol 9 (5) ◽  
pp. 231 ◽  
Author(s):  
Mukul G. Jain ◽  
Kaustubh R. Mote ◽  
Perunthiruthy K. Madhu

Chemical characterisation of active pharmaceutical compounds can be challenging, especially when these molecules exhibit tautomeric or desmotropic behaviour. The complexity can increase manyfold if these molecules are not susceptible to crystallisation. Solid-state NMR has been employed effectively for characterising such molecules. However, characterisation of a molecule is just a first step in identifying the differences in the crystalline structure. 1 H solid-state Nuclear Magnetic Resonance (ssNMR) studies on these molecules at fast magic-angle-spinning frequencies can provide a wealth of information and may be used along with ab initio calculations to predict the crystal structure in the absence of X-ray crystallographic studies. In this work, we attempted to use solid-state NMR to measure 1 H - 1 H distances that can be used as restraints for crystal structure calculations. We performed studies on the desmotropic forms of albendazole.

2007 ◽  
Vol 40 (25) ◽  
pp. 9018-9025 ◽  
Author(s):  
Xiaoliang Wang ◽  
Qiang Gu ◽  
Qing Sun ◽  
Dongshan Zhou ◽  
Pingchuan Sun ◽  
...  

2011 ◽  
Vol 208 (1) ◽  
pp. 44-48 ◽  
Author(s):  
Yusuke Nishiyama ◽  
Yuki Endo ◽  
Takahiro Nemoto ◽  
Hiroaki Utsumi ◽  
Kazuo Yamauchi ◽  
...  

2010 ◽  
Vol 203 (1) ◽  
pp. 113-128 ◽  
Author(s):  
Qiang Wang ◽  
Bingwen Hu ◽  
Olivier Lafon ◽  
Julien Trébosc ◽  
Feng Deng ◽  
...  

Soft Matter ◽  
2011 ◽  
Vol 7 (2) ◽  
pp. 691-697 ◽  
Author(s):  
Qiang Gu ◽  
Xiaoliang Wang ◽  
Pingchuan Sun ◽  
Dongshan Zhou ◽  
Gi Xue

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