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Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one

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dc.contributor.authors Baydere, C; Tasci, M; Dege, N; Arslan, M; Atalay, Y; Golenya, IA;
dc.date.accessioned 2020-01-20T08:02:41Z
dc.date.available 2020-01-20T08:02:41Z
dc.date.issued 2019
dc.identifier.citation Baydere, C; Tasci, M; Dege, N; Arslan, M; Atalay, Y; Golenya, IA; (2019). Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one. ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 75, +-746
dc.identifier.issn 2056-9890
dc.identifier.uri https://hdl.handle.net/20.500.12619/32303
dc.identifier.uri https://doi.org/10.1107/S2056989019006182
dc.description.abstract A novel chalcone, C20H20O, derived from benzylidenetetralone, was synthesized via Claissen-Schmidt condensation between tetralone and 2,4,6-trimethyl-benzaldehyde. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, producing R-2(2)(20) and R-2(4)(12) ring motifs. In addition, weak C-H center dot center dot center dot pi and pi-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 center dot center dot center dot H (66.0%), H center dot center dot center dot C/C center dot center dot center dot H (22.3%), H center dot center dot center dot O/O center dot center dot center dot H (9.3%), and C center dot center dot center dot C (2.4%) interactions. Shape-index plots show pi-pi stacking interactions and the curvedness plots show flat surface patches characteristic of planar stacking.
dc.language English
dc.publisher INT UNION CRYSTALLOGRAPHY
dc.rights info:eu-repo/semantics/openAccess
dc.rights.uri http://creativecommons.org/licenses/by/4.0/
dc.subject Crystallography
dc.title Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one
dc.type Article
dc.identifier.volume 75
dc.identifier.startpage 746
dc.identifier.endpage +
dc.contributor.department Sakarya Üniversitesi/Fen-Edebiyat Fakültesi/Fizik Bölümü
dc.contributor.saüauthor Atalay, Yusuf
dc.relation.journal ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
dc.identifier.wos WOS:000477632400009
dc.identifier.doi 10.1107/S2056989019006182
dc.contributor.author Cemile Baydere
dc.contributor.author Merve Tasci
dc.contributor.author Necmi Dege
dc.contributor.author Mustafa Arslan
dc.contributor.author Atalay, Yusuf
dc.contributor.author Irina A. Golenya


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info:eu-repo/semantics/openAccess Except where otherwise noted, this item's license is described as info:eu-repo/semantics/openAccess