Pregled bibliografske jedinice broj: 1113726
A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines
A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines // Journal of molecular structure, 1234 (2021), 130157, 8 doi:10.1016/j.molstruc.2021.130157 (međunarodna recenzija, članak, znanstveni)
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Naslov
A crystallographic and solid-state NMR study of
1,4-disubstituted 2,5-diketopiperazines
Autori
Perić, Berislav ; Pantalon Juraj, Natalija ; Szalontai, Gábor ; Veličković, Suzana R. ; Veljković, Filip M. ; Vikić-Topić, Dražen ; Kirin, Srećko I.
Izvornik
Journal of molecular structure (0022-2860) 1234
(2021);
130157, 8
Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni
Ključne riječi
NMR crystallography ; 2, 5-diketopiperazines ; X-ray diffraction ; GIPAW calculations ; solid state NMR
Sažetak
P-Disubstituted phenyldiketopiperazines 1 (R = H), 2 (R = NO2) and 3 (R = -N(CH3)2) were synthesized and characterized by NMR in solution and IR spectroscopy. The identity of the compounds was confirmed and their fragmentation analyzed by ESI-MS and HRMS spectrometry. X-ray single crystal structures revealed that the three compounds crystallize in space groups P21 (1), Pbca (2) and P21/c (3), respectively. The solid- state structures of 1-3 were further analyzed by a combination of solid-state NMR spectroscopy and GIPAW calculations. The NMR crystallography approach was used to analyze symmetry breaking of nearly centrosymmetric molecules in 1, and disorder of piperazine groups in crystal structure of 3.
Izvorni jezik
Engleski
Znanstvena područja
Kemija
POVEZANOST RADA
Projekti:
IP-2014-09-1461 - Minimalni umjetni enzimi: Proširenje primjene posredne indukcije na nove supstrate i nove asimetrične reakcije (MArtEn) (Kirin, Srećko, HRZZ - 2014-09) ( CroRIS)
Ustanove:
Institut "Ruđer Bošković", Zagreb
Profili:
Srećko Kirin (autor)
Dražen Vikić-Topić (autor)
Berislav Perić (autor)
Natalija Pantalon Juraj (autor)
Citiraj ovu publikaciju:
Časopis indeksira:
- Current Contents Connect (CCC)
- Web of Science Core Collection (WoSCC)
- Science Citation Index Expanded (SCI-EXP)
- SCI-EXP, SSCI i/ili A&HCI
- Scopus