Show simple item record

Insights into conformational and cristal structure features of selected cyclohexane-5-spirohydantoin derivatives

dc.creatorLazić, Anita
dc.creatorRadovanović, Lidija
dc.creatorRogan, Jelena
dc.creatorJanjić, Goran
dc.creatorTrišović, Nemanja
dc.creatorĐorđević, Ivana
dc.date.accessioned2024-03-27T08:28:25Z
dc.date.available2024-03-27T08:28:25Z
dc.date.issued2022
dc.identifier.isbn978-86-7132-079-5
dc.identifier.urihttps://cer.ihtm.bg.ac.rs/handle/123456789/7542
dc.description.abstractDerivat cikloheksan-5-spirohidantoina (Slika 1) je sintetisan, određena je njegova kristalnastruktura i urađena kvantno-hemijska analiza. Kristalno pakovanje grade mrežesupramolekulskih R64(32) prstenova postavljenih međusobno paralelno, pri čemu seformiraju linearni kanali. Određene su vrednosti energije intermolekulskih interakcija zarazličite dimerne motive dobijene iz kristalne strukture. Uzimajući u razmatranjeprethodno strukturno okarakterisane srodne spirohidantoine [1], dobijena je serijajedinjenja koja je omogućila procenu uticaja supstituenata na njihovu molekulsku ikristalnu strukturu.sr
dc.description.abstractA spirohydantoin derivative (Figure 1) was synthesized and its crystal structure wasdetermined by single crystal X-ray diffraction and analysed by DFT calculations. Thecrystal packing is made of supramolecular nets of R64(32) rings linked together to formstacks that enclose linear channels. The intermolecular interaction energies are quantifiedfor various dimeric motifs. By including the previously reported structurally-relatedspirohydantoins [1], we created a set of compounds that enabled us to evaluate substituenteffects on both molecular and crystal structures.sr
dc.language.isosrsr
dc.publisherBeograd : Srpsko hemijsko društvosr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200135/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200287/RS//sr
dc.relationinfo:eu-repo/grantAgreement/MESTD/inst-2020/200026/RS//sr
dc.rightsopenAccesssr
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.sourceKratki izvodi radova ; Knjiga radova / 58. savetovanje Srpskog hemijskog društva, Beograd, 9. i 10. jun 2022. godinesr
dc.titleProučavanje konformacije i kristalne strukture odabranih derivata cikloheksan-5-spirohidantoinasr
dc.titleInsights into conformational and cristal structure features of selected cyclohexane-5-spirohydantoin derivativessr
dc.typeconferenceObjectsr
dc.rights.licenseBYsr
dc.citation.spage138
dc.citation.epage138
dc.identifier.rcubhttps://hdl.handle.net/21.15107/rcub_cer_7542
dc.identifier.fulltexthttp://cer.ihtm.bg.ac.rs/bitstream/id/30044/Insights_into_conformational_pub_2022.pdf
dc.type.versionpublishedVersionsr


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record