An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized isothiouronium salts
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61389013%3A_____%2F25%3A00619284" target="_blank" >RIV/61389013:_____/25:00619284 - isvavai.cz</a>
Alternative codes found
RIV/68378271:_____/25:00619284 RIV/60461373:22310/25:43932813
Result on the web
<a href="https://hdl.handle.net/11104/0366356" target="_blank" >https://hdl.handle.net/11104/0366356</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1107/S1600576724012378" target="_blank" >10.1107/S1600576724012378</a>
Alternative languages
Result language
angličtina
Original language name
An advanced approach combining solid-state NMR with powder diffraction applied to newly synthesized isothiouronium salts
Original language description
The focus here is on the structural study of isothiouronium salts and the application of intermolecular distances obtained by solid-state NMR (ssNMR) in determining crystal structures from powder diffraction data. The synthesis of three new tetrafluoroborate salts and two bromide salts of isothiouronium compounds is presented first, followed by structural and spectroscopic studies. The tetrafluoroborates were further analysed using advanced ssNMR techniques to obtain a set of intermolecular 19F...13C, 11B...11B, 1H...1H and 13C...1H distances with an estimation of their precision. These distances were subsequently used as restraints in the crystal structure determination process from simulated powder diffraction data.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10404 - Polymer science
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Applied Crystallography
ISSN
1600-5767
e-ISSN
1600-5767
Volume of the periodical
58
Issue of the periodical within the volume
2
Country of publishing house
GB - UNITED KINGDOM
Number of pages
12
Pages from-to
321-332
UT code for WoS article
001466123100002
EID of the result in the Scopus database
2-s2.0-105003682065