Open Access
Molecules, volume 27, issue 3, pages 717
Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates
Vener Mikhail V.
1
,
PARASHCHUK OLGA D.
3
,
Artobolevskii Sergei V
4
,
Alatortsev Oleg A
4
,
Makhrov Denis E
4
,
5
Faculty of Chemistry, University of Wrocław 14 F. Joliot-Curie Str., 50-383 Wrocław, Poland
|
Publication type: Journal Article
Publication date: 2022-01-22
PubMed ID:
35163982
Organic Chemistry
Drug Discovery
Physical and Theoretical Chemistry
Pharmaceutical Science
Molecular Medicine
Analytical Chemistry
Chemistry (miscellaneous)
Abstract
Two new peroxosolvates of drug-like compounds were synthesized and studied by a combination of X-ray crystallographic, Raman spectroscopic methods, and periodic DFT computations. The enthalpies of H-bonds formed by hydrogen peroxide (H2O2) as a donor and an acceptor of protons were compared with the enthalpies of analogous H-bonds formed by water (H2O) in isomorphic (isostructural) hydrates. The enthalpies of H-bonds formed by H2O2 as a proton donor turned out to be higher than the values of the corresponding H-bonds formed by H2O. In the case of H2O2 as a proton acceptor in H-bonds, the ratio appeared reversed. The neutral O∙∙∙H-O/O∙∙∙H-N bonds formed by the lone electron pair of the oxygen atom of water were the strongest H-bonds in the considered crystals. In the paper, it was found out that the low-frequency Raman spectra of isomorphous crystalline hydrate and peroxosolvate of N-(5-Nitro-2-furfurylidene)-1-aminohydantoin are similar. As for the isostructural hydrate and peroxosolvate of the salt of protonated 2-amino-nicotinic acid and maleic acid monoanion, the Raman spectra are different.
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Citations by publishers
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1 publication, 9.09%
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1 publication, 9.09%
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- We do not take into account publications that without a DOI.
- Statistics recalculated only for publications connected to researchers, organizations and labs registered on the platform.
- Statistics recalculated weekly.
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Vener M. V. et al. Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates // Molecules. 2022. Vol. 27. No. 3. p. 717.
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Vener M. V., Churakov A. V., Voronin A., PARASHCHUK O. D., Artobolevskii S. V., Alatortsev O. A., Makhrov D. E., Medvedev A. G., Filarowski A. Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates // Molecules. 2022. Vol. 27. No. 3. p. 717.
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TY - JOUR
DO - 10.3390/molecules27030717
UR - https://doi.org/10.3390%2Fmolecules27030717
TI - Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates
T2 - Molecules
AU - PARASHCHUK, OLGA D.
AU - Artobolevskii, Sergei V
AU - Alatortsev, Oleg A
AU - Makhrov, Denis E
AU - Vener, Mikhail V.
AU - Churakov, Andrei V.
AU - Voronin, Alexander
AU - Medvedev, Alexander G.
AU - Filarowski, Alexander
PY - 2022
DA - 2022/01/22 00:00:00
PB - Multidisciplinary Digital Publishing Institute (MDPI)
SP - 717
IS - 3
VL - 27
PMID - 35163982
SN - 1420-3049
ER -
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@article{2022_Vener,
author = {OLGA D. PARASHCHUK and Sergei V Artobolevskii and Oleg A Alatortsev and Denis E Makhrov and Mikhail V. Vener and Andrei V. Churakov and Alexander Voronin and Alexander G. Medvedev and Alexander Filarowski},
title = {Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates},
journal = {Molecules},
year = {2022},
volume = {27},
publisher = {Multidisciplinary Digital Publishing Institute (MDPI)},
month = {jan},
url = {https://doi.org/10.3390%2Fmolecules27030717},
number = {3},
pages = {717},
doi = {10.3390/molecules27030717}
}
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MLA
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Vener, Mikhail V., et al. “Comparison of Proton Acceptor and Proton Donor Properties of H2O and H2O2 in Organic Crystals of Drug-like Compounds: Peroxosolvates vs. Crystallohydrates.” Molecules, vol. 27, no. 3, Jan. 2022, p. 717. https://doi.org/10.3390%2Fmolecules27030717.