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Pregled bibliografske jedinice broj: 479584

Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector

Gazić Smilović, Ivana; Molčanov, Krešimir; Vinković, Vladimir; Kojić-Prodić, Biserka; Lesac, Andreja
Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector // Journal of Molecular Structure, 980 (2010), 1-3; 51-58 doi:10.1016/j.molstruc.2010.06.036 (međunarodna recenzija, članak, znanstveni)

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Naslov
Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector

Autori
Gazić Smilović, Ivana ; Molčanov, Krešimir ; Vinković, Vladimir ; Kojić-Prodić, Biserka ; Lesac, Andreja

Izvornik
Journal of Molecular Structure (0022-2860) 980 (2010), 1-3; 51-58

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
(R ; S)- ; (R)- and (S)-alanine-based compounds ; X-ray structure ; Thermal behavior ; Hydrogen bonding ; Conformational disorder

Sažetak
We report on structural investigation of homochiral and heterochiral alanine-based selector 4-butylamino-N-[1-(3, 5-dimethyl-phenylcarbamoyl)-ethyl]-3, 5-dinitrobenzamide (I) preformed by X-ray structure analysis and thermo-optical analysis. The topologies of hydrogen bonding of racemate crystals and the homochiral crystals are significantly different and affect their thermodynamic stabilities. The heterochiral rac-I crystal is characterized by high temperature and entropy fusion due to the compact packing of the molecules of opposite chirality (hydrogen bonded RS pairs). On the contrary, packing of homochiral molecules is less compact and crystals reveal low thermodynamic stability related to conformational flexibility.

Izvorni jezik
Engleski

Znanstvena područja
Kemija



POVEZANOST RADA

Projekti:
098-1191344-2943 - Protein-ligand međudjelovanja na atomnoj razini (Luić, Marija, MZOS ) ( CroRIS)
098-0982904-2910 - Kiralni organski materijali – sintetska, strukturna i funkcionalna istraživanja (Vinković, Vladimir, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Andreja Lesac (autor)

Avatar Url Vladimir Vinković (autor)

Avatar Url Ivana Gazić (autor)

Avatar Url Biserka Kojić-Prodić (autor)

Avatar Url Krešimir Molčanov (autor)

Poveznice na cjeloviti tekst rada:

doi www.sciencedirect.com

Citiraj ovu publikaciju:

Gazić Smilović, Ivana; Molčanov, Krešimir; Vinković, Vladimir; Kojić-Prodić, Biserka; Lesac, Andreja
Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector // Journal of Molecular Structure, 980 (2010), 1-3; 51-58 doi:10.1016/j.molstruc.2010.06.036 (međunarodna recenzija, članak, znanstveni)
Gazić Smilović, I., Molčanov, K., Vinković, V., Kojić-Prodić, B. & Lesac, A. (2010) Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector. Journal of Molecular Structure, 980 (1-3), 51-58 doi:10.1016/j.molstruc.2010.06.036.
@article{article, author = {Gazi\'{c} Smilovi\'{c}, Ivana and Mol\v{c}anov, Kre\v{s}imir and Vinkovi\'{c}, Vladimir and Koji\'{c}-Prodi\'{c}, Biserka and Lesac, Andreja}, year = {2010}, pages = {51-58}, DOI = {10.1016/j.molstruc.2010.06.036}, keywords = {(R, S)-, (R)- and (S)-alanine-based compounds, X-ray structure, Thermal behavior, Hydrogen bonding, Conformational disorder}, journal = {Journal of Molecular Structure}, doi = {10.1016/j.molstruc.2010.06.036}, volume = {980}, number = {1-3}, issn = {0022-2860}, title = {Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector}, keyword = {(R, S)-, (R)- and (S)-alanine-based compounds, X-ray structure, Thermal behavior, Hydrogen bonding, Conformational disorder} }
@article{article, author = {Gazi\'{c} Smilovi\'{c}, Ivana and Mol\v{c}anov, Kre\v{s}imir and Vinkovi\'{c}, Vladimir and Koji\'{c}-Prodi\'{c}, Biserka and Lesac, Andreja}, year = {2010}, pages = {51-58}, DOI = {10.1016/j.molstruc.2010.06.036}, keywords = {(R, S)-, (R)- and (S)-alanine-based compounds, X-ray structure, Thermal behavior, Hydrogen bonding, Conformational disorder}, journal = {Journal of Molecular Structure}, doi = {10.1016/j.molstruc.2010.06.036}, volume = {980}, number = {1-3}, issn = {0022-2860}, title = {Hydrogen bonding and thermodynamic properties of (R, S)- and (R)-alanine-based selector}, keyword = {(R, S)-, (R)- and (S)-alanine-based compounds, X-ray structure, Thermal behavior, Hydrogen bonding, Conformational disorder} }

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

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