TY  - JOUR
AU  - Perić, Berislav
AU  - Juraj, Natalija Pantalon
AU  - Szalontai, Gábor
AU  - Veličković, Suzana
AU  - Veljković, Filip M.
AU  - Vikić-Topić, Dražen
AU  - Kirin, Srećko I.
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9149
AB  - 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. © 2021 Elsevier B.V.
T2  - Journal of Molecular Structure
T1  - A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines
VL  - 1234
SP  - 130157
DO  - 10.1016/j.molstruc.2021.130157
ER  - 

@article{
author = "Perić, Berislav and Juraj, Natalija Pantalon and Szalontai, Gábor and Veličković, Suzana and Veljković, Filip M. and Vikić-Topić, Dražen and Kirin, Srećko I.",
year = "2021",
abstract = "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. © 2021 Elsevier B.V.",
journal = "Journal of Molecular Structure",
title = "A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines",
volume = "1234",
pages = "130157",
doi = "10.1016/j.molstruc.2021.130157"
}

Perić, B., Juraj, N. P., Szalontai, G., Veličković, S., Veljković, F. M., Vikić-Topić, D.,& Kirin, S. I.. (2021). A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines. in Journal of Molecular Structure, 1234, 130157.
https://doi.org/10.1016/j.molstruc.2021.130157

Perić B, Juraj NP, Szalontai G, Veličković S, Veljković FM, Vikić-Topić D, Kirin SI. A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines. in Journal of Molecular Structure. 2021;1234:130157.
doi:10.1016/j.molstruc.2021.130157 .

Perić, Berislav, Juraj, Natalija Pantalon, Szalontai, Gábor, Veličković, Suzana, Veljković, Filip M., Vikić-Topić, Dražen, Kirin, Srećko I., "A crystallographic and solid-state NMR study of 1,4-disubstituted 2,5-diketopiperazines" in Journal of Molecular Structure, 1234 (2021):130157,
https://doi.org/10.1016/j.molstruc.2021.130157 . .