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Pregled bibliografske jedinice broj: 1113726

A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines


Perić, Berislav; Pantalon Juraj, Natalija; Szalontai, Gábor; Veličković, Suzana R.; Veljković, Filip M.; Vikić-Topić, Dražen; Kirin, Srećko I.
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)


CROSBI ID: 1113726 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

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) ( POIROT)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com doi.org

Citiraj ovu publikaciju:

Perić, Berislav; Pantalon Juraj, Natalija; Szalontai, Gábor; Veličković, Suzana R.; Veljković, Filip M.; Vikić-Topić, Dražen; Kirin, Srećko I.
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)
Perić, B., Pantalon Juraj, N., Szalontai, G., Veličković, S., Veljković, F., Vikić-Topić, D. & Kirin, S. (2021) A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines. Journal of molecular structure, 1234, 130157, 8 doi:10.1016/j.molstruc.2021.130157.
@article{article, author = {Peri\'{c}, Berislav and Pantalon Juraj, Natalija and Szalontai, G\'{a}bor and Veli\v{c}kovi\'{c}, Suzana R. and Veljkovi\'{c}, Filip M. and Viki\'{c}-Topi\'{c}, Dra\v{z}en and Kirin, Sre\'{c}ko I.}, year = {2021}, pages = {8}, DOI = {10.1016/j.molstruc.2021.130157}, chapter = {130157}, keywords = {NMR crystallography, 2, 5-diketopiperazines, X-ray diffraction, GIPAW calculations, solid state NMR}, journal = {Journal of molecular structure}, doi = {10.1016/j.molstruc.2021.130157}, volume = {1234}, issn = {0022-2860}, title = {A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines}, keyword = {NMR crystallography, 2, 5-diketopiperazines, X-ray diffraction, GIPAW calculations, solid state NMR}, chapternumber = {130157} }
@article{article, author = {Peri\'{c}, Berislav and Pantalon Juraj, Natalija and Szalontai, G\'{a}bor and Veli\v{c}kovi\'{c}, Suzana R. and Veljkovi\'{c}, Filip M. and Viki\'{c}-Topi\'{c}, Dra\v{z}en and Kirin, Sre\'{c}ko I.}, year = {2021}, pages = {8}, DOI = {10.1016/j.molstruc.2021.130157}, chapter = {130157}, keywords = {NMR crystallography, 2, 5-diketopiperazines, X-ray diffraction, GIPAW calculations, solid state NMR}, journal = {Journal of molecular structure}, doi = {10.1016/j.molstruc.2021.130157}, volume = {1234}, issn = {0022-2860}, title = {A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines}, keyword = {NMR crystallography, 2, 5-diketopiperazines, X-ray diffraction, GIPAW calculations, solid state NMR}, chapternumber = {130157} }

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


Citati:





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