Diazole-based powdered cocrystal featuring a helical hydrogen-bonded network: Structure determination from PXRD, solid-state NMR and computer modeling

We present the structure of a new equimolar 1:1 cocrystal formed by 3,5-d imethy1-1H-pyrazole (dmpz) and 4,5-dimethy1-1H-imidazole (dmim), determined by means of powder X-ray diffraction data combined with solid-state NMR that provided insight into topological details of hydrogen bonding connectivit...

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Bibliographic Details
Main Author: Sardo, Mariana (author)
Other Authors: Santos, Sergio M. (author), Babaryk, Artem A. (author), Lopez, Concepcion (author), Alkorta, Ibon (author), Elguero, Jose (author), Claramunt, Rosa M. (author), Mafra, Luis (author)
Format: article
Language:eng
Published: 1000
Subjects:
CRYSTAL-STRUCTURE PREDICTION
AB-INITIO CALCULATIONS
X-RAY-DIFFRACTION
PI-INTERACTIONS
H-1-NMR SPECTROSCOPY
MAS NMR
AROMATIC NANOCHANNELS
POLARIZATION TRANSFER
QUADRUPLE PROTON
CO-CRYSTALS
Online Access:http://hdl.handle.net/10773/20061
Country:Portugal
Oai:oai:ria.ua.pt:10773/20061

Internet

http://hdl.handle.net/10773/20061

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