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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.contributor.authorYesilyurt, Fatma
dc.contributor.authorAydin, Abdullah
dc.contributor.authorGul, Halise Inci
dc.contributor.authorAkkurt, Mehmet
dc.contributor.authorOzcelik, Nefise Dilek
dc.date.accessioned2026-01-03T10:40:06Z
dc.date.issued2018-06-12
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)° with the benzene ring and the mean plane of the morpholine ring, respectively. The molecular conformation is stabilized by an O—H...N hydrogen bond. In the crystal, molecules are connected through C—H...O hydrogen bonds, forming wave-like layers parallel to the ab plane, which are further linked into a three-dimensional network by C—H...π interactions involving the benzene rings and the methylene H atoms of the morpholine rings.
dc.description.urihttps://doi.org/10.1107/s2056989018008459
dc.description.urihttps://journals.iucr.org/e/issues/2018/07/00/rz5238/rz5238.pdf
dc.description.urihttps://pubmed.ncbi.nlm.nih.gov/30002894
dc.description.urihttp://dx.doi.org/10.1107/S2056989018008459
dc.description.urihttps://doaj.org/article/f43b82a728d14fbf9d387da5115e605e
dc.description.urihttps://dx.doi.org/10.1107/s2056989018008459
dc.description.urihttps://hdl.handle.net/20.500.12451/4176
dc.description.urihttps://doi.org/10.1107/S2056989018008459
dc.description.urihttps://avesis.erciyes.edu.tr/publication/details/0fb74d72-cac4-4e8f-827d-e83663516fe9/oai
dc.description.urihttps://avesis.atauni.edu.tr/publication/details/d13ff5f3-d376-4939-b7ec-975e4bbfa52c/oai
dc.identifier.doi10.1107/s2056989018008459
dc.identifier.eissn2056-9890
dc.identifier.endpage963
dc.identifier.openairedoi_dedup___::1b143a9860a366ce0e93fdf76c88f5bb
dc.identifier.orcid0000-0002-1336-6322
dc.identifier.orcid0000-0003-2805-9314
dc.identifier.orcid0000-0003-2421-0929
dc.identifier.orcid0000-0002-6972-1071
dc.identifier.pubmed30002894
dc.identifier.scopus2-s2.0-85049723498
dc.identifier.startpage960
dc.identifier.urihttps://hdl.handle.net/20.500.12597/36874
dc.identifier.volume74
dc.identifier.wos000437492100018
dc.publisherInternational Union of Crystallography (IUCr)
dc.relation.ispartofActa Crystallographica Section E Crystallographic Communications
dc.rightsOPEN
dc.subjectcrystal structure
dc.subjectHOMO
dc.subjectLUMO
dc.subjectCrystallography
dc.subjectchalcones
dc.subjecttheoretical study
dc.subjectTheoretical Study
dc.subjectquantum-chemical calculation
dc.subjectResearch Communications
dc.subjectMannich Bases
dc.subjectquantum-Chemical Calculation
dc.subjectChalcones
dc.subjectQD901-999
dc.subjectMannich bases
dc.subjectCrystal Structure
dc.subject.sdg3. Good health
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
dspace.entity.typePublication
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