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Synthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-ol

dc.contributor.authorGuseynova, Saadet N.
dc.contributor.authorSamigullina, Aida I.
dc.contributor.authorDemir, Cemile Baydere
dc.contributor.authorDege, N.
dc.contributor.authorSepay, Nayim
dc.contributor.authorZangrando, Ennio
dc.contributor.authorHasanov, Khudayar I.
dc.date.accessioned2025-10-06T06:29:26Z
dc.date.available2025-10-06T06:29:26Z
dc.date.issued2025
dc.identifier.issn2056-9890
dc.identifier.urihttps://doi.org/10.1107/S2056989025002154
dc.identifier.urihttp://hdl.handle.net/11446/5429
dc.description.abstractThe title molecule, C<inf>13</inf>H<inf>17</inf>Cl<inf>2</inf>FO<inf>3</inf>, crystallizes in the orthorhombic space group P2<inf>1</inf>2<inf>1</inf>2<inf>1</inf> with one molecule in the asymmetric unit. The skeleton of the molecule exhibits an anti conformation with a C - C - C - C(Ph) torsion angle of -174.97 (18)°. The species are weakly hydrogen bonded to form a polymeric chain elongated in the direction of the b axis. This interaction is realised by the hydroxyl group with an ether O atom of a symmetry-related species [O - H⋯O hydrogen-bond distance of 2.975 (2) Å]. No π-stacking interaction involving the fluorobenzyl moiety is detected in the crystal structure. Hirshfeld surface analysis, confirming the O - H⋯O donor-acceptor interactions, indicates that the most important contributions to the surface contacts are H⋯H (47.0%), Cl⋯H (19.5%), C⋯H (12.1%) and F⋯H (10.7%). © 2025 Elsevier B.V., All rights reserved.en_US
dc.language.isoengen_US
dc.publisherInternational Union of Crystallographyen_US
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communicationsen_US
dc.identifier.doi10.1107/S2056989025002154
dc.rightsinfo:eu-repo/semantics/openAccessen_US
dc.subjectCrystal Structureen_US
dc.subjectDichlorohydrinen_US
dc.subjectHirshfeld Surface Analysisen_US
dc.subjectKetoacetalen_US
dc.subjectΒ-oxoaldehydeen_US
dc.titleSynthesis, crystal structure and Hirshfeld surface analysis of 2,2-dichloro-3,3-diethoxy-1-(4-fluorophenyl)propan-1-olen_US
dc.typearticleen_US
dc.departmentDBÜen_US
dc.identifier.issuePt 5en_US
dc.identifier.volume81en_US
dc.identifier.startpage444en_US
dc.identifier.endpage447en_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.department-tempGuseynova, Saadet N., The Kosygin State University of Russia, Moscow, Russian Federation; Samigullina, Aida I., N.D. Zelinsky Institute of Organic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation; Demir, Cemile Baydere, Physiotherapy Program, Demiroglu Bilim University, Istanbul, Turkey; Dege, N., Department of Physics, Ondokuz Mayis Üniversitesi, Samsun, Turkey; Sepay, Nayim, Department of Chemistry, Lady Brabourne College, Kolkata, India; Zangrando, Ennio, Department of Chemical and Pharmaceutical Sciences, Università degli Studi di Trieste, Trieste, Italy; Hasanov, Khudayar I., Azerbaijan Medical University, Baku, Azerbaijan; Belay, Alebel Nibret, Department of Chemistry, Bahir Dar University, Bahir Dar, Ethiopiaen_US
dc.identifier.scopus2-s2.0-105004665125en_US
dc.identifier.scopusqualityQ3en_US
dc.snmzKA_Scopus_20251006
dc.indekslendigikaynakScopusen_US


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