Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one

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dc.authoridOzcelik, Nefise -- 0000-0002-6972-1071; Yesilyurt, Fatma -- 0000-0002-1336-6322
dc.contributor.authorYeşilyurt, Fatma
dc.contributor.authorAydın, Abdullah
dc.contributor.authorGül, Halise İnci
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorÖzçelik, Nefise
dc.date.accessioned13.07.201910:50:10
dc.date.accessioned2019-07-16T09:14:51Z
dc.date.available13.07.201910:50:10
dc.date.available2019-07-16T09:14:51Z
dc.date.issued2018
dc.departmentSabire Yazıcı Fen-Edebiyat Fakültesi
dc.description.abstractIn the title compound, C18H19NO3S, the morpholine ring adopts a chair conformation. The thiophene ring forms dihedral angles of 26.04 (9) and 74.07 (10)degrees with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O-H center dot center dot center dot N hydrogen bond. In the crystal, molecules are connected through C-H center dot center dot center dot O hydrogen bonds, forming wave-like layers parallel to the ab plane, which are further linked into a three-dimensional network by C-H center dot center dot center dot pi interactions involving the benzene rings and the methylene H atoms of the morpholine rings.
dc.description.sponsorshipAksaray University, Science and Technology Application and Research Center, Aksaray, Turkey (State of Planning Organization) [2010K120480]
dc.description.sponsorshipThe authors acknowledge the Aksaray University, Science and Technology Application and Research Center, Aksaray, Turkey, for the use of the Bruker SMART BREEZE CCD diffractometer (purchased under grant No. 2010K120480 of the State of Planning Organization)
dc.identifier.doi10.1107/S2056989018008459
dc.identifier.endpage+en_US
dc.identifier.issn2056-9890
dc.identifier.pmid30002894
dc.identifier.scopusqualityQ3
dc.identifier.startpage960en_US
dc.identifier.urihttps://doi.org/10.1107/S2056989018008459
dc.identifier.urihttps://hdl.handle.net/20.500.12451/4176
dc.identifier.volume74en_US
dc.identifier.wosWOS:000437492100018
dc.identifier.wosqualityN/A
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.indekslendigikaynakPubMed
dc.language.isoen
dc.publisherInternational Union of Crystallography
dc.relation.ispartofActa Crystallographica Section E: Crystallographic Communications
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.subjectCrystal Structure
dc.subjectTheoretical Study
dc.subjectquantum-Chemical Calculation
dc.subjectChalcones
dc.subjectMannich Bases
dc.subjectHOMO
dc.subjectLUMO
dc.titleCrystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-one
dc.typeArticle

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