Publication:
Crystal Structure and Hirshfeld Surface Analysis of (E)-2-(2,4,6-Trimethylbenzylidene)-3,4-Dihydronaphthalen-1(2 H)-one

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dc.authorscopusid57210190171
dc.authorscopusid57210184795
dc.authorscopusid57201620841
dc.authorscopusid57203542863
dc.authorscopusid8918794000
dc.authorscopusid6505486699
dc.contributor.authorBaydere, C.
dc.contributor.authorTaşçi, M.
dc.contributor.authorDege, N.
dc.contributor.authorArslan, M.
dc.contributor.authorAtalay, Y.
dc.contributor.authorGolenya, I.A.
dc.date.accessioned2020-06-21T12:26:39Z
dc.date.available2020-06-21T12:26:39Z
dc.date.issued2019
dc.departmentOndokuz Mayıs Üniversitesien_US
dc.department-temp[Baydere] Cemile, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Taşçi] Merve, Department of Chemistry, Sakarya Üniversitesi, Serdivan, Sakarya, Turkey; [Dege] Necmi, Department of Physics, Ondokuz Mayis University Faculty of Science and Arts, Samsun, Turkey; [Arslan] Mustafa, Department of Chemistry, Sakarya Üniversitesi, Serdivan, Sakarya, Turkey; [Atalay] Yusuf, Department of Chemistry, Sakarya Üniversitesi, Serdivan, Sakarya, Turkey; [Golenya] Irina A., Department of Chemistry, Taras Shevchenko National University of Kyiv, Kyiv, Ukraineen_US
dc.description.abstractA novel chalcone, C<inf>20</inf> H<inf>20</inf> O, derived from benzylidenetetralone, was synthesized via Claissen-Schmidt condensation between tetralone and 2,4,6-trimethylbenzaldehyde. In the crystal, molecules are linked by C - H...O hydrogen bonds, producing R2<inf>2</inf> (20) and R 2 4 (12) ring motifs. In addition, weak C - H...π and π-stacking interactions are observed. The intermolecular interactions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H...H (66.0%), H...C/ C...H (22.3%), H...O/O...H (9.3%), and C...C (2.4%) interactions. Shape-index plots show π-π stacking interactions and the curvedness plots show flat surface patches characteristic of planar stacking. © 2019 Baydere et al.en_US
dc.identifier.doi10.1107/S2056989019006182
dc.identifier.endpage750en_US
dc.identifier.issn2056-9890
dc.identifier.pmid31391958
dc.identifier.scopus2-s2.0-85069855219
dc.identifier.scopusqualityQ3
dc.identifier.startpage746en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989019006182
dc.identifier.volume75en_US
dc.identifier.wosWOS:000477632400009
dc.language.isoenen_US
dc.publisherInternational Union of Crystallography 5 Abbey Square Chester CH1 2HUen_US
dc.relation.ispartofActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.journalActa Crystallographica Section E-Crystallographic Communicationsen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectChalconeen_US
dc.subjectCrystal Structureen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectHydrogen Bonden_US
dc.titleCrystal Structure and Hirshfeld Surface Analysis of (E)-2-(2,4,6-Trimethylbenzylidene)-3,4-Dihydronaphthalen-1(2 H)-oneen_US
dc.typeArticleen_US
dspace.entity.typePublication

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