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ULOGA STRUKTURNIH MOTIVA U IZGRADNJI SUPRAMOLEKULSKE ARHITEKTURE 3-(4-TERC-BUTILBENZOIL)-1,3-DIAZASPIRO[4.5]DEKAN-2,4-DIONA
ROLE OF STRUCTURAL MOTIFS IN FORMATION OF THE SUPRAMOLECULAR ARCHITECTURE OF 3-(4-TERT-BUTYLBENZOYL)-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE
dc.creator | Lazić, Anita | |
dc.creator | Radovanović, Lidija | |
dc.creator | Rogan, Jelena | |
dc.creator | Janjić, Goran | |
dc.creator | Đorđević, Ivana | |
dc.creator | Trišović, Nemanja | |
dc.date.accessioned | 2023-10-24T11:21:07Z | |
dc.date.available | 2023-10-24T11:21:07Z | |
dc.date.issued | 2023 | |
dc.identifier.isbn | 978-86-912959-6-7 | |
dc.identifier.issn | 0354-5741 | |
dc.identifier.uri | http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6722 | |
dc.description.abstract | Proučavano jedinjenje (slika 1) sintetisano je polazeći od cikloheksanona Bučerer- Bergsovom reakcijom i naknadnim acilovanjem dobijenog spirohidantoina. Izgradnja kristalne strukture ovog jedinjenja proučavana je sa aspekta doprinosa jednostavnih dimernih motiva koji se uspostavljaju preko različitih intermolekulskih interakcija. Intermolekulske interakcije dodatno su proučavane pomoću Hiršfeldovih površina i 2D grafičkih prikaza otisaka interakcija. Kristalna struktura, naime, zadržava motiv koji se često sreće kod derivata hidantoina, u kome su dva inverzano orijentisana molekula povezana parom N–H···O vodoničnih veza. Ovaj motiv formira dva tipa dvostrukih lanaca, koji dalje grade sloj (slika 2). Osim toga, slabe C–H⋯O interakcije zajedno sa disperzionim interakcijama (π-π i hidrofobne interakcije) identifikovane su u ovoj kristalnoj strukturi. Kristalografski podaci: C19H24N2O3, Mr = 328,4, trikliničan sistem, prostorna grupa P–1, a = 6,2810(2), b = 12,0586(4), c = 12,1852(5) Å, α = 77,624(3), β = 81,039(3), γ = 79,111(3) °, V = 878.81(6) Å3, Z = 2, F(000) = 352, ρx = 1,380 g cm–3, µ(MoKα) = 0,084 mm–1. Utačnjavanje sa F2 (220 parametara) dalo je R1 = 0,0520, wR2 = 0,1199, S = 1,033 za sve podatke i R1 = 0,0443 za 3232 uočenih refleksija sa I ≥ 2σ(I). | sr |
dc.description.abstract | The title compound (Figure 1) was prepared from cyclohexanone in the Bucherer-Bergs reaction, followed by acylation of the obtained spirohydantoin. Formation of the crystal structure of this compound was analysed in terms of a number of simple dimeric motifs which are associated with different intermolecular interactions. The crystal structure retains the motif commonly found in hydantoin derivatives, where two molecules related by inversion are linked by a pair of N–H O hydrogen bonds. This motif is involved in two types of double chains, which further form a layer (Figure 2). Intermolecular interactions were also investigated using Hirshfeld surface analysis and 2D fingerprint analysis. Weak C–H⋯O interactions together with the dispersion interactions (π-π and hydrophobic) as the source of attraction are identified in this crystal structure. Crystal data: C19H24N2O3, Mr = 328.4, triclinic system, space group P–1, a = 6.2810(2), b = 12.0586(4), c = 12.1852(5) Å, a = 77.624(3), β = 81.039(3), γ = 79.111(3) °, V = 878.81(6) Å3, Z = 2, F(000) = 352, ρx = 1.380 g cm–3, µ(MoKa) = = 0.084 mm–1. The refinement on F2 (220 parameters) yielded R1 = 0.0520, wR2 = 0.1199, S = 1.033 for all data, and R1 = 0.0443 for 3232 observed reflections with I ≥ 2σ(I). | sr |
dc.language.iso | sr | sr |
dc.publisher | Beograd : Srpsko kristalografsko društvo | sr |
dc.rights | openAccess | sr |
dc.rights.uri | https://creativecommons.org/licenses/by/4.0/ | |
dc.source | Izvodi radova / XXVIII konferencija Srpskog kristalografskog društva, Čačak, 14–15. jun 2023 | sr |
dc.title | ULOGA STRUKTURNIH MOTIVA U IZGRADNJI SUPRAMOLEKULSKE ARHITEKTURE 3-(4-TERC-BUTILBENZOIL)-1,3-DIAZASPIRO[4.5]DEKAN-2,4-DIONA | sr |
dc.title | ROLE OF STRUCTURAL MOTIFS IN FORMATION OF THE SUPRAMOLECULAR ARCHITECTURE OF 3-(4-TERT-BUTYLBENZOYL)-1,3-DIAZASPIRO[4.5]DECANE-2,4-DIONE | sr |
dc.type | conferenceObject | sr |
dc.rights.license | BY | sr |
dc.citation.epage | 57 | |
dc.citation.spage | 56 | |
dc.identifier.fulltext | http://TechnoRep.tmf.bg.ac.rs/bitstream/id/18187/bitstream_18187.pdf | |
dc.identifier.rcub | https://hdl.handle.net/21.15107/rcub_technorep_6722 | |
dc.type.version | publishedVersion | sr |