Yesilyurt, Fatma, Aydin, Abdullah, Gul, Halise Inci, Akkurt, Mehmet, Ozcelik, Nefise DilekYesilyurt F., Aydin A., Gul H., Akkurt M., Ozcelik N.Yesilyurt, F, Aydin, A, Gul, HI, Akkurt, M, Ozcelik, ND2023-05-092023-05-092018-07-012018-01-012018.01.012056-9890https://hdl.handle.net/20.500.12597/13330In the title compound, CHNOS, the morpholine ring adopts a chair conformation. The thio-phene 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 mol-ecular conformation is stabilized by an O-H⋯N hydrogen bond. In the crystal, mol-ecules are connected through C-H⋯O hydrogen bonds, forming wave-like layers parallel to the plane, which are further linked into a three-dimensional network by C-H⋯π inter-actions involving the benzene rings and the methyl-ene H atoms of the morpholine rings.In 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.trueHOMOLUMOMannich baseschalconescrystal structurequantum-chemical calculationtheoretical studychalcones | Crystal structure | HOMO | LUMO | Mannich bases | quantum-chemical calculation | theoretical studyCrystal structure and theoretical study of (2)-1-[4-hy-droxy-3-(morpholin-4-ylmeth-yl)phen-yl]-3-(thio-phen-2-yl)prop-2-en-1-one.Crystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)phenyl]-3-(thiophen-2-yl)prop-2-en-1-oneCrystal structure and theoretical study of (2E)-1-[4-hydroxy-3-(morpholin-4-ylmethyl)-phenyl]-3-(thiophen-2-yl)prop-2-en-1-oneJournal Article10.1107/S205698901800845910.1107/S20569890180084592-s2.0-85049723498WOS:00043749210001830002894960+74